Hexahydro-4-azepinone Hydrochloride - CAS 50492-22-3

Catalog:	BB027079
Product Name:	Hexahydro-4-azepinone Hydrochloride
CAS:	50492-22-3
Synonyms:	4-azepanone;hydrochloride; azepan-4-one;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	azepan-4-one;hydrochloride
Description:	Hexahydro-4-azepinone Hydrochloride (CAS# 50492-22-3) is a compound useful in organic synthesis.
Molecular Weight:	149.62
Molecular Formula:	C6H12ClNO
Canonical SMILES:	C1CC(=O)CCNC1.Cl
InChI:	InChI=1S/C6H11NO.ClH/c8-6-2-1-4-7-5-3-6;/h7H,1-5H2;1H
InChI Key:	WFTRLIZPJMFJER-UHFFFAOYSA-N
LogP:	1.45980

Publication Number	Title	Priority Date
WO-2021066088-A1	Novel triazine derivative	20191002
WO-2020169804-A1	Fused glycosidase inhibitors	20190222
WO-2020037155-A1	1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indole derivative compounds and uses thereof	20180816
CN-112654354-A	1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof	20180816
EP-3836919-A1	1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indole derivative compounds and uses thereof	20180816

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	90.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0607417
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	149.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0