chempirical

3-Amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

C10H12N2OCAS 86499-35-6176.22 g/mol

Open in Covalent MOL file
NHOH2N
AmideLactamPrimary amine

Properties

Molecular formula
C10H12N2O
Molar mass
176.22 g/mol
Exact mass
176.0950 Da
logP
0.90Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
86499-35-6
SMILES
C1CC2=CC=CC=C2NC(=O)C1N
InChIKey
AUAKXRGQXZRTQC-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one

Work with 3-Amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-23-263 % similar 1,2,3,4-Tetrahydroquinolin-2-one553-03-747 % similar 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one4424-80-046 % similar (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester63492-82-042 % similar (S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-041 % similar Dl-homophenylalanine1012-05-140 % similar D-Homophenylalanine82795-51-540 % similar L-Homophenylalanine943-73-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide112794-29-3 1H-Benzimidazole-2-propanol2403-66-9 6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde261715-39-3 4-Methyl-1-phenyl-3-pyrazolidone2654-57-1 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-8 Serotonin50-67-9 3-Phenylpiperazin-2-one5368-28-5 3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one55314-16-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook