8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride

C₁₁H₁₅Cl₂NCAS 1431697-94-7232.15 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₁H₁₅Cl₂N
Molar mass: 232.15 g/mol
Exact mass: 231.0582 Da
logP: 3.01Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1431697-94-7

SMILES

CC1CNCCc2ccc(Cl)cc21.Cl

InChIKey

ITIHHRMYZPNGRC-UHFFFAOYSA-N

InChI

InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, hydrochloride (1:1)

Work with 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride

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

Lorcaserin616202-92-791 % similar 5-Chloroindoline25658-80-437 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-035 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-434 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-634 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-734 % similar Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)65369-76-834 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Lorcaserin hydrochloride846589-98-8

Elsewhere

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