2,3,4,5-Tetrahydro-1H-benzo[B]azepine

C₁₀H₁₃NCAS 1701-57-1147.22 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₀H₁₃N
Molar mass: 147.22 g/mol
Exact mass: 147.1048 Da
logP: 2.43Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
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

1701-57-1

SMILES

C1CCNC2=CC=CC=C2C1

InChIKey

MZBVNYACSSGXID-UHFFFAOYSA-N

InChI

InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2

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Names and synonyms

1 names

2,3,4,5-Tetrahydro-1H-1-benzazepine

Work with 2,3,4,5-Tetrahydro-1H-benzo[B]azepine

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

Tetrahydroquinoline635-46-186 % similar Indoline496-15-174 % similar Tetralin119-64-255 % similar 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine5946-39-454 % similar 1,2,3,4-Tetrahydroquinoxaline3476-89-952 % similar 10,11-Dihydro-5H-dibenz[b,f]azepine494-19-952 % similar Indane496-11-748 % similar 7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline450-62-444 % similar

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

Same formula

2-Phenylpyrrolidine1006-64-0 2-Methyltetrahydroquinoline1780-19-4 (S)-1,2,3,4-Tetrahydro-2-naphthylamine21880-87-5 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-5 5,6,7,8-Tetrahydro-1-naphthylamine2217-41-6 (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-2 (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-0 5,6,7,8-Tetrahydro-2-methylquinoline2617-98-3

Elsewhere

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