AG002RLO

26081-03-8 | 2H-Azepin-2-one, 3-aminohexahydro-, hydrochloride (1:1), (3R)-

AG002RLO

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CAS Number	26081-03-8
Catalog Number	AG002RLO(AGN-PC-0R20L0)
Chemical Name	2H-Azepin-2-one, 3-aminohexahydro-, hydrochloride (1:1), (3R)-
IUPAC Name	(3R)-3-aminoazepan-2-one;hydrochloride
InChI	InChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H/t5-;/m1./s1
InChI Key	LWXJCGXAYXXXRU-NUBCRITNSA-N
MDL Number	MFCD11840204
Molecular Formula	C6H13ClN2O
Molecular Weight	164.6332
SMILES	O=C1NCCCC[C@H]1N.[H]Cl
Synonyms	(R)-3-Aminoazepan-2-One Hydrochloride, 26081-03-8, (R)-3-amino-azepan-2-one hydrochloride, (R)-3-Aminoazepan-2-one HCl, 2H-Azepin-2-one, 3-aminohexahydro-, monohydrochloride, (3R)-, AK-95591, KSC005Q3R, SCHEMBL3374187, CTK9A5838, KS-00000PTI, DTXSID20680045, LWXJCGXAYXXXRU-NUBCRITNSA-N, ACT10385, 2227AB, MFCD11840204, AKOS007930008, BCP9000027, NE62751, AC-29489, DS-18042, AX8228776, FT-0687399, J1280, (R)-alpha-amino-epsilon-caprolactam hydrochloride, S14-2537, (3R)-3-Aminoazepan-2-one--hydrogen chloride (1/1), (3R)-3-Aminohexahydro-2H-azepin-2-one monohydrochloride, (3R-2H-AZEPIN-2-ONE, 3-AMINOHEXAHYDRO HYDROCHLORIDE, C6H13ClN2O, ACN-S004838, (S)-3-Aminoazepan-2-one hydrochloride, 26081-07-2,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
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	3
Isotope Atom Count	0
Molecular Weight	164.633g/mol
Monoisotopic Mass	164.072g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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