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Structure

2-(Azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride

CAS
111475-15-1
Catalog Number
ACM111475151
Category
Other Products
Molecular Weight
295.847 g/mol
Molecular Formula
C17H26ClNO

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Specification

Synonyms
TG-8, CID60503, LS-48448, 2-((Hexahydro-1H-azepin-1-yl)methyl)butyrophenone hydrochloride, BUTYROPHENONE, 2-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-, HYDROCHLORIDE, 111475-15-1
IUPAC Name
2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride
Canonical SMILES
CCC(C[NH+]1CCCCCC1)C(=O)C2=CC=CC=C2.[Cl-]
InChI Key
ANRAAPIPUFBQJQ-UHFFFAOYSA-N
Boiling Point
384.6ºC at 760 mmHg
Flash Point
136.1ºC
Exact Mass
295.17000
H-Bond Acceptor
2
H-Bond Donor
1
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