AG00EL7K

60565-89-1 | 1-Methyl-1,4-diazepan-2-one

AG00EL7K

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CAS Number	60565-89-1
Catalog Number	AG00EL7K(AGN-PC-0SWMGJ)
Chemical Name	1-Methyl-1,4-diazepan-2-one
IUPAC Name	1-methyl-1,4-diazepan-2-one
InChI	InChI=1S/C6H12N2O/c1-8-4-2-3-7-5-6(8)9/h7H,2-5H2,1H3
InChI Key	UCVJSGPCVKPWLY-UHFFFAOYSA-N
MDL Number	MFCD08460178
Molecular Formula	C6H12N2O
Molecular Weight	128.1723
SMILES	O=C1N(C)CCCNC1
Synonyms	1-methyl-1,4-diazepan-2-one, 60565-89-1, 2H-1,4-DIAZEPIN-2-ONE, HEXAHYDRO-1-METHYL, SCHEMBL84671, KS-00000PO5, ANW-46731, MFCD08460178, ZINC36377982, AKOS005146181, MCULE-4819094676, NE30423, AJ-92694, AK-81379, DS-16211, DB-072813, TC-135476, 4CH-002208, AM20100475, FT-0649326, hexahydro-1-methyl-2H-1,4-Diazepin-2-one, ST24021334, W7308, 2H-1,4-Diazepin-2-one, hexahydro-1-methyl-, 565D891, A832785, I14-1877, Hexahydro-1-methyl-2H-1,4-diazepin-2-one, AldrichCPR, Z1824497668, N-Methyl-5-homopiperazinone, C6H12N2O, 1-methyl-1,4-diazepan-2-one hydrochloride, 2H-1,4-Diazepin-2-one,hexahydro-1-methyl-,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.095g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.175g/mol
Monoisotopic Mass	128.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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