3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Properties
- Molecular formula
- C10H10BrNO
- Molar mass
- 240.10 g/mol
- Exact mass
- 238.9946 Da
- Melting point
- 162–165 °C
- logP
- 2.98Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H303 May be harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
86499-96-9SMILES
OC1=Nc2ccccc2CCC1BrInChIKey
JMXPGCGROVEPID-UHFFFAOYSA-NInChI
InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2H-1-Benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydro-
- 3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
- 3-Bromo-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
- 3-Bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Work with 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Similar compounds
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(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide149182-72-935 % similar
1-Indanol6351-10-634 % similar
2-Bromo-1-indanone1775-27-534 % similar
1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-433 % similar
(+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-333 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.