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

C₁₀H₁₀ClNOCAS 160129-45-3195.65 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary 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 Å²
H-bond donors / acceptors: 1 / 2
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

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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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-3,4-dihydro-1(2H)-naphthalenone26673-32-561 % 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-Chloro-2,3-dihydro-4H-1-benzopyran-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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