AG002YD3

29426-64-0 | 2H-​Azepin-​2-​one, 3-​aminohexahydro-​, hydrochloride (1:1)

AG002YD3

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CAS Number	29426-64-0
Catalog Number	AG002YD3(AGN-PC-093R2X)
Chemical Name	2H-​Azepin-​2-​one, 3-​aminohexahydro-​, hydrochloride (1:1)
IUPAC Name	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
InChI Key	LWXJCGXAYXXXRU-UHFFFAOYSA-N
MDL Number	MFCD06798179
Molecular Formula	C6H13ClN2O
Molecular Weight	164.6332
SMILES	Cl.NC1C(=O)NCCCC1
Synonyms	3-Aminoazepan-2-one hydrochloride, 29426-64-0, DL-alpha-Amino-epsilon-caprolactam hydrochloride, 3-Amino-2-azepanone HCl, 3-AMINOAZEPAN-2-ONE HCL, 2H-Azepin-2-one, 3-aminohexahydro-, monohydrochloride, 3-AMINOHEXAHYDRO-2H-AZEPIN-2-ONE HYDROCHLORIDE, AK-95591, DL-Lysine lactam hydrochloride, SCHEMBL1446953, CTK8B3941, KS-00000PLU, DTXSID10481422, LWXJCGXAYXXXRU-UHFFFAOYSA-N, 3-Amino-2-azepanone Hydrochloride, CS-M1433, ANW-43505, AKOS015919800, Dl-alpha-amino-epsilon-caprolactam HCl, DS-1722, TRA0014064, AK-77858, BR-77858, DA-18275, DL-|A-Amino-|A-caprolactam hydrochloride, SY030978, alpha-amino-epsiloncaprolactam hydrochloride, DL-alpha-Amino-?-caprolactam hydrochloride, AB0024018, TC-132250, 3-Amino-2-oxohexamethyleneimine hydrochloride, 4CH-002216, 4CH-011310, alpha-amino-epsilon-caprolactam hydrochloride, FT-0746905, ST24022680, W5198, DL-3-Aminohexahydro-2-azepinone Hydrochloride, MFCD11840204 (95%), S-2097, DL-3-Amino-2-oxohexamethyleneimine Hydrochloride, J-017511, DL-alpha-Amino-epsilon-caprolactam hydrochloride, 97%, I14-90624, 2H-Azepin-2-one, 3-aminohexahydro-, hydrochloride (1:1), DL-alpha-Amino-epsilon-caprolactam hydrochloride, >=99.0%, ( inverted exclamation markA)-3-Aminohexahydro-2H-azepin-2-one hydrochloride, (R)-3-Aminoazepan-2-One Hydrochloride, C6H13ClN2O, (S)-3-Aminoazepan-2-one hydrochloride, ACN-051485, A2331, DL-alpha-Amino-epsilon-caprolactamhydrochloride, 26081-03-8, 26081-07-2, DL-alpha-Amino-epsilon-caprolactam hydrochloride, 99% - 1G 1g, 671-42-1,

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	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	1
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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