CAS RN: 871126-33-9
CAS Name: 1,3-bis(1-adamantyl)-4,5-dihydroimidazol-1-ium
OPENEYE Name: 1,3-bis(1-adamantyl)-4,5-dihydroimidazol-1-ium
IUPAC Name: 1,3-bis(1-adamantyl)-4,5-dihydroimidazol-1-ium
SYSTEMATIC NAME: 1,3-bis(1-adamantyl)-4,5-dihydroimidazol-1-ium
MOLECULAR FORMULA: C23H35N2+
MOLECULAR WEIGHT: 339.5374
SMILES: C1C[N+](=CN1C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
Structure:
CAS RN: 51600-24-9
CAS Name: (1S)-1-(1-naphthalenyl)ethanamine hydrochloride
OPENEYE Name: (1S)-1-(1-naphthyl)ethanamine hydrochloride
IUPAC Name: (1S)-1-naphthalen-1-ylethanamine hydrochloride
SYSTEMATIC NAME: (1S)-1-naphthalen-1-ylethanamine hydrochloride
MOLECULAR FORMULA: C12H14ClN
MOLECULAR WEIGHT: 207.69926
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)N.Cl
Structure:
CAS RN: 60531-36-4
CAS Name: 4-(2-aminoethyl)benzoic acid hydrochloride
OPENEYE Name: 4-(2-aminoethyl)benzoic acid hydrochloride
IUPAC Name: 4-(2-aminoethyl)benzoic acid hydrochloride
SYSTEMATIC NAME: 4-(2-azanylethyl)benzoic acid hydrochloride
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 201.65008
SMILES: C1=CC(=CC=C1CCN)C(=O)O.Cl
Structure:
CAS RN: 871125-87-0
CAS Name: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
OPENEYE Name: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine
IUPAC Name: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
SYSTEMATIC NAME: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
MOLECULAR FORMULA: C15H24BN3O2
MOLECULAR WEIGHT: 289.18096
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)N3CCNCC3
Structure:
CAS RN: 496786-98-2
CAS Name: 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
MOLECULAR FORMULA: C20H32BN3O4
MOLECULAR WEIGHT: 389.29678
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C
Structure:
CAS RN: 871125-86-9
CAS Name: 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
OPENEYE Name: 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine
IUPAC Name: 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
SYSTEMATIC NAME: 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
MOLECULAR FORMULA: C15H24BN3O2
MOLECULAR WEIGHT: 289.18096
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCNCC3
Structure:
CAS RN: 870703-71-2
CAS Name: 4-bromo-2-chloro-6-(trifluoromethyl)aniline
OPENEYE Name: 4-bromo-2-chloro-6-(trifluoromethyl)aniline
IUPAC Name: 4-bromo-2-chloro-6-(trifluoromethyl)aniline
SYSTEMATIC NAME: 4-bromanyl-2-chloranyl-6-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H4BrClF3N
MOLECULAR WEIGHT: 274.46557
SMILES: C1=C(C=C(C(=C1Cl)N)C(F)(F)F)Br
Structure:
CAS RN: 89466-07-9
CAS Name: (4-amino-3-nitrophenyl)boronic acid
OPENEYE Name: (4-amino-3-nitro-phenyl)boronic acid
IUPAC Name: (4-amino-3-nitrophenyl)boronic acid
SYSTEMATIC NAME: (4-azanyl-3-nitro-phenyl)boronic acid
MOLECULAR FORMULA: C6H7BN2O4
MOLECULAR WEIGHT: 181.94178
SMILES: B(C1=CC(=C(C=C1)N)[N+](=O)[O-])(O)O
Structure:
CAS RN: 833486-94-5
CAS Name: 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
OPENEYE Name: 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC Name: 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SYSTEMATIC NAME: 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
MOLECULAR FORMULA: C12H17BN2O4
MOLECULAR WEIGHT: 264.08538
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)[N+](=O)[O-]
Structure:
CAS RN: 26218-75-7
CAS Name: 6-bromo-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-bromopyridine-2-carboxylate
IUPAC Name: methyl 6-bromopyridine-2-carboxylate
SYSTEMATIC NAME: methyl 6-bromanylpyridine-2-carboxylate
MOLECULAR FORMULA: C7H6BrNO2
MOLECULAR WEIGHT: 216.03204
SMILES: COC(=O)C1=NC(=CC=C1)Br
Structure:
CAS RN: 159451-66-8
CAS Name: N-(5-bromo-2-pyridinyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(5-bromo-2-pyridyl)carbamate
IUPAC Name: tert-butyl N-(5-bromopyridin-2-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(5-bromanylpyridin-2-yl)carbamate
MOLECULAR FORMULA: C10H13BrN2O2
MOLECULAR WEIGHT: 273.12642
SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)Br
Structure:
CAS RN: 1115-84-0
CAS Name: [(3S)-3-amino-3-carboxypropyl]-dimethylsulfonium chloride
OPENEYE Name: [(3S)-3-amino-3-carboxy-propyl]-dimethyl-sulfonium chloride
IUPAC Name: [(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium chloride
SYSTEMATIC NAME: [(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-dimethyl-sulfanium chloride
MOLECULAR FORMULA: C6H14ClNO2S
MOLECULAR WEIGHT: 199.69886
SMILES: C[S+](C)CC[C@@H](C(=O)O)N.[Cl-]
Structure:
CAS RN: 12018-79-0
CAS Name: copper oxido(oxo)iron
OPENEYE Name: copper oxido(oxo)iron
IUPAC Name: copper oxido(oxo)iron
SYSTEMATIC NAME: copper oxidanidyl(oxidanylidene)iron
MOLECULAR FORMULA: CuFe2O4
MOLECULAR WEIGHT: 239.2336
SMILES: [O-][Fe]=O.[O-][Fe]=O.[Cu+2]
Structure:
CAS RN: 37220-43-2
CAS Name: copper oxido(oxo)iron
OPENEYE Name: copper oxido(oxo)iron
IUPAC Name: copper oxido(oxo)iron
SYSTEMATIC NAME: copper oxidanidyl(oxidanylidene)iron
MOLECULAR FORMULA: CuFe2O4
MOLECULAR WEIGHT: 239.2336
SMILES: [O-][Fe]=O.[O-][Fe]=O.[Cu+2]
Structure:
CAS RN: 14298-39-6
CAS Name: holmium(3+) phosphate
OPENEYE Name: holmium(3+) phosphate
IUPAC Name: holmium(3+) phosphate
SYSTEMATIC NAME: holmium(3+) phosphate
MOLECULAR FORMULA: HoO4P
MOLECULAR WEIGHT: 259.901681
SMILES: [O-]P(=O)([O-])[O-].[Ho+3]
Structure:
CAS RN: 837392-62-8
CAS Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
OPENEYE Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
IUPAC Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
SYSTEMATIC NAME: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
MOLECULAR FORMULA: C15H20BNO2
MOLECULAR WEIGHT: 257.1358
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C
Structure:
CAS RN: 870703-84-7
CAS Name: (5-fluoro-2-mercaptophenyl)methanol
OPENEYE Name: (5-fluoro-2-sulfanyl-phenyl)methanol
IUPAC Name: (5-fluoro-2-sulfanylphenyl)methanol
SYSTEMATIC NAME: (5-fluoranyl-2-sulfanyl-phenyl)methanol
MOLECULAR FORMULA: C7H7FOS
MOLECULAR WEIGHT: 158.193283
SMILES: C1=CC(=C(C=C1F)CO)S
Structure:
CAS RN: 6634-65-7
CAS Name: 1-(diaminomethylidene)-2-(2,4-dichlorophenyl)guanidine hydrochloride
OPENEYE Name: 1-(diaminomethylene)-2-(2,4-dichlorophenyl)guanidine hydrochloride
IUPAC Name: 1-(diaminomethylidene)-2-(2,4-dichlorophenyl)guanidine hydrochloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(2,4-dichlorophenyl)guanidine hydrochloride
MOLECULAR FORMULA: C8H10Cl3N5
MOLECULAR WEIGHT: 282.5575
SMILES: C1=CC(=C(C=C1Cl)Cl)N=C(N)N=C(N)N.Cl
Structure:
CAS RN: 136725-53-6
CAS Name: (3S)-3-fluoropyrrolidine hydrochloride
OPENEYE Name: (3S)-3-fluoropyrrolidine hydrochloride
IUPAC Name: (3S)-3-fluoropyrrolidine hydrochloride
SYSTEMATIC NAME: (3S)-3-fluoranylpyrrolidine hydrochloride
MOLECULAR FORMULA: C4H9ClFN
MOLECULAR WEIGHT: 125.572363
SMILES: C1CNC[C@H]1F.Cl
Structure:
CAS RN: 305448-92-4
CAS Name: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
OPENEYE Name: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
IUPAC Name: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
MOLECULAR FORMULA: C13H20BNO4S
MOLECULAR WEIGHT: 297.1782
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NS(=O)(=O)C
Structure:
CAS RN: 445264-61-9
CAS Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C12H18BNO3
MOLECULAR WEIGHT: 235.08722
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC
Structure:
CAS RN: 857530-80-4
CAS Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
OPENEYE Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SYSTEMATIC NAME: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
MOLECULAR FORMULA: C11H19BN2O2
MOLECULAR WEIGHT: 222.09176
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C)C
Structure:
CAS RN: 863975-37-5
CAS Name: diethoxyphosphorylmethylcyclopropane
OPENEYE Name: diethoxyphosphorylmethylcyclopropane
IUPAC Name: diethoxyphosphorylmethylcyclopropane
SYSTEMATIC NAME: diethoxyphosphorylmethylcyclopropane
MOLECULAR FORMULA: C8H17O3P
MOLECULAR WEIGHT: 192.192541
SMILES: CCOP(=O)(CC1CC1)OCC
Structure:
CAS RN: 19524-08-4
CAS Name: 4-chloro-3-methylpyridine hydrochloride
OPENEYE Name: 4-chloro-3-methyl-pyridine hydrochloride
IUPAC Name: 4-chloro-3-methylpyridine hydrochloride
SYSTEMATIC NAME: 4-chloranyl-3-methyl-pyridine hydrochloride
MOLECULAR FORMULA: C6H7Cl2N
MOLECULAR WEIGHT: 164.03248
SMILES: CC1=C(C=CN=C1)Cl.Cl
Structure:
CAS RN: 552846-17-0
CAS Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
IUPAC Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
MOLECULAR FORMULA: C14H23BN2O4
MOLECULAR WEIGHT: 294.15442
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)OC(C)(C)C
Structure:
CAS RN: 616880-14-9
CAS Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
OPENEYE Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
IUPAC Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
MOLECULAR FORMULA: C13H20BNO4S
MOLECULAR WEIGHT: 297.1782
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C
Structure:
CAS RN: 288101-48-4
CAS Name: 2-(2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OPENEYE Name: 2-(2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-(2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C12H15BF2O2
MOLECULAR WEIGHT: 240.054106
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)F
Structure:
CAS RN: 127337-60-4
CAS Name: 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride
OPENEYE Name: 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride
IUPAC Name: 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride
SYSTEMATIC NAME: 2-(chloromethyl)-3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridine hydrochloride
MOLECULAR FORMULA: C9H10Cl2F3NO
MOLECULAR WEIGHT: 276.08301
SMILES: CC1=C(C=CN=C1CCl)OCC(F)(F)F.Cl
Structure:
CAS RN: 72793-46-5
CAS Name: 5-ethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-ethyl-5-(2,3,4,5,6-pentadeuteriophenyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-ethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 237.266089
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(=O)NC(=O)NC2=O)CC)[2H])[2H]
Structure:
CAS RN: 202407-26-9
CAS Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-oxidanylphenyl)propanoic acid
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 191.115842
SMILES: [13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1[13CH2][13C@@H]([13C](=O)O)[15NH2])O
Structure:
CAS RN: 59528-27-7
CAS Name: (4-iodophenyl)methanamine hydrochloride
OPENEYE Name: (4-iodophenyl)methanamine hydrochloride
IUPAC Name: (4-iodophenyl)methanamine hydrochloride
SYSTEMATIC NAME: (4-iodophenyl)methanamine hydrochloride
MOLECULAR FORMULA: C7H9ClIN
MOLECULAR WEIGHT: 269.51053
SMILES: C1=CC(=CC=C1CN)I.Cl
Structure:
CAS RN: 145143-60-8
CAS Name: 1-amino-1-cyclobutanecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 1-aminocyclobutanecarboxylate hydrochloride
IUPAC Name: ethyl 1-aminocyclobutane-1-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 1-azanylcyclobutane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C7H14ClNO2
MOLECULAR WEIGHT: 179.64456
SMILES: CCOC(=O)C1(CCC1)N.Cl
Structure:
CAS RN: 115955-90-3
CAS Name: 1,2,3,4-tetrahydroisoquinolin-5-amine
OPENEYE Name: 1,2,3,4-tetrahydroisoquinolin-5-amine
IUPAC Name: 1,2,3,4-tetrahydroisoquinolin-5-amine
SYSTEMATIC NAME: 1,2,3,4-tetrahydroisoquinolin-5-amine
MOLECULAR FORMULA: C9H12N2
MOLECULAR WEIGHT: 148.20498
SMILES: C1CNCC2=C1C(=CC=C2)N
Structure:
CAS RN: 765908-38-1
CAS Name: 4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane
OPENEYE Name: 2-(3-benzyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane
SYSTEMATIC NAME: 4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane
MOLECULAR FORMULA: C19H23BO3
MOLECULAR WEIGHT: 310.19512
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC3=CC=CC=C3
Structure:
CAS RN: 128231-55-0
CAS Name: (4-tert-butylphenyl)hydrazine hydrochloride
OPENEYE Name: (4-tert-butylphenyl)hydrazine hydrochloride
IUPAC Name: (4-tert-butylphenyl)hydrazine hydrochloride
SYSTEMATIC NAME: (4-tert-butylphenyl)diazane hydrochloride
MOLECULAR FORMULA: C10H17ClN2
MOLECULAR WEIGHT: 200.70838
SMILES: CC(C)(C)C1=CC=C(C=C1)NN.Cl
Structure:
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