7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

C10H10ClNOCAS 160129-45-3195.65 g/mol

Open in Covalent MOL file
OClNH
Aryl halideKetoneSecondary amine

Properties

Molecular formula
C10H10ClNO
Molar mass
195.65 g/mol
Exact mass
195.0451 Da
logP
2.73Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
160129-45-3
SMILES
C1CC(=O)C2=C(C=CC(=C2)Cl)NC1
InChIKey
AHESNFIUAHTYGS-UHFFFAOYSA-N
InChI
InChI=1S/C10H10ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2

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

Names and synonyms

1 names
  • 7-Chloro-1,2,3,4-tetrahydro-benzo[B]azepin-5-one

Work with 7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-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

7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-561 % similar 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-859 % similar 6-Chloro-1-tetralone26673-31-456 % similar 6-Chloro-1-indanone14548-38-051 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-351 % similar 6-Chlorothiochroman-4-one13735-12-148 % similar 6-Chlorochroman-4-one37674-72-948 % similar 5-Chloro-1-indanone42348-86-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Amino-2-naphthol hydrochloride1198-27-2 4-Chlorotryptophol41340-30-1 2-Amino-1-naphthol hydrochloride41772-23-0 4-Amino-1-naphthol hydrochloride5959-56-8 3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-23-2

Elsewhere

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