2,3,4,5-Tetrahydro-1H-benzo(d)azepine

C₁₀H₁₃NCAS 4424-20-8147.22 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: 1.37Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage25% of notifiers
H332 Harmful if inhaled25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

4424-20-8

SMILES

C1CNCCC2=CC=CC=C21

InChIKey

MWVMYAWMFTVYED-UHFFFAOYSA-N

InChI

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

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-benzo[D]azepine

Work with 2,3,4,5-Tetrahydro-1H-benzo(d)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

Tetrahydroisoquinoline91-21-475 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-165 % similar Tetralin119-64-261 % similar Indane496-11-761 % similar Benzocyclobutene694-87-159 % similar Indoline496-15-152 % similar Isoindoline496-12-850 % similar 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Phenylpyrrolidine1006-64-0 2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-1 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

Elsewhere

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