AG00FGQI

685859-01-2 | 2H-​1,​4-​Diazepin-​2-​one, hexahydro-​1-​methyl-​, hydrochloride (1:1)

AG00FGQI

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CAS Number	685859-01-2
Catalog Number	AG00FGQI(AGN-PC-0TT3KT)
Chemical Name	2H-​1,​4-​Diazepin-​2-​one, hexahydro-​1-​methyl-​, hydrochloride (1:1)
IUPAC Name	1-methyl-1,4-diazepan-2-one;hydrochloride
InChI	InChI=1S/C6H12N2O.ClH/c1-8-4-2-3-7-5-6(8)9;/h7H,2-5H2,1H3;1H
InChI Key	FTNDDOQJRISISV-UHFFFAOYSA-N
MDL Number	MFCD19443962
Molecular Formula	C6H13ClN2O
Molecular Weight	164.6332
SMILES	Cl.O=C1N(C)CCCNC1
Synonyms	1-methyl-1,4-diazepan-2-one hydrochloride, 685859-01-2, 1-Methyl-1,4-diazepan-2-one HCl, hexahydro-1-methyl-2H-1,4-diazepin-2-one hydrochloride, 1-methyl-2-oxo[1,4]diazepane hydrochloride, SCHEMBL4926922, DTXSID20620860, FTNDDOQJRISISV-UHFFFAOYSA-N, HT020, KS-000004GG, 8136AE, MFCD19443962, AKOS015949297, NE47528, RP08597, SB11654, AS-33992, 1-Methyl-1,4-diazepan-2-onehydrochloride, 1-methyl-1,4-diazepan-2-one;hydrochloride, DB-074044, ST1251361, 1-methyl-2-oxo[1.4]diazepane hydrochloride, CS-0052477, FT-0685133, Hexahydro-1-methyl-2H-1,4-diazepin-2-one HCl, J-504844, 1-Methyl-1,4-diazepan-2-one--hydrogen chloride (1/1), 60565-89-1 1-methyl-1,4-diazepan-2-one hydrochloride, C6H13ClN2O,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.072g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.633g/mol
Monoisotopic Mass	164.072g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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