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

C10H13NCAS 1701-57-1147.22 g/mol

Open in Covalent MOL file
NH
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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook