2-(Azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one chloride

CAS
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CAS
111443-80-2
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Purity
96%
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Catalog Number

ACM111443802

Product Name

2-(Azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one chloride

Structure

CAS

111443-80-2

Category

Heterocyclic Organic Compound

Synonyms

TG-14, 2-((Hexahydro-1H-azepin-1-yl)methyl)-4-methylbutyrophenone hydrochloride, BUTYROPHENONE, 2-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-4-METHYL-, HYDROCHLORIDE, AC1L1TCN, AC1Q1SDG, LS-48449, 1-[2-(4-methylbenzoyl)butyl]azepanium chloride, 2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one chloride, 111443-80-2

IUPAC Name

2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one;chloride

Molecular Weight

309.874 g/mol

Molecular Formula

C₁₈H₂₈ClNO

Canonical SMILES

CCC(C[NH+]1CCCCCC1)C(=O)C2=CC=C(C=C2)C.[Cl-]

InChI Key

HZRIDNJQJALIEA-UHFFFAOYSA-N

Boiling Point

403.6ºC at 760mmHg