AG003DNQ

1056010-05-9 | 1,4-Diazepan-2-one HCl

AG003DNQ

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CAS Number	1056010-05-9
Catalog Number	AG003DNQ(AGN-PC-043BY7)
Chemical Name	1,4-Diazepan-2-one HCl
IUPAC Name	1,4-diazepan-2-one;hydrochloride
InChI	InChI=1S/C5H10N2O.ClH/c8-5-4-6-2-1-3-7-5;/h6H,1-4H2,(H,7,8);1H
InChI Key	AMPBCAMPFHRYOB-UHFFFAOYSA-N
MDL Number	MFCD22570174
Molecular Formula	C5H11ClN2O
Molecular Weight	150.6066
SMILES	O=C1NCCCNC1.[H]Cl
Synonyms	1,4-Diazepan-2-one hydrochloride, 1056010-05-9, 1,4-DIAZEPAN-2-ONE HCL, 1,4-diazepan-2-one;hydrochloride, [1,4]Diazepan-2-one hydrochloride, Hexahydro-2H-1,4-diazepin-2-one hydrochloride, SCHEMBL3838535, 1,4-Diazepan-2-oneHydrochloride, AMPBCAMPFHRYOB-UHFFFAOYSA-N, KS-00000C8U, 5019AJ, MFCD22570174, AKOS024258835, CS-W003914, TRA0069292, AC-29485, AK154846, AS-42725, SY032801, 1,4-Diazepan-2-one hydrochloride (1:1), AX8274568, FT-0765715, MFCD22570174 (97%), F0001-2625, Z2756332573, C5H10N2O.HCl, 99822-50-1, 34376-54-0,

Complexity	92.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.056g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	150.606g/mol
Monoisotopic Mass	150.056g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number