AG003CLQ

21568-87-6 | (S)-3-Aminoazepan-2-one

AG003CLQ

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CAS Number	21568-87-6
Catalog Number	AG003CLQ(AGN-PC-0O7VLS)
Chemical Name	(S)-3-Aminoazepan-2-one
IUPAC Name	(3S)-3-aminoazepan-2-one
InChI	InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1
InChI Key	BOWUOGIPSRVRSJ-YFKPBYRVSA-N
MDL Number	MFCD00064476
Molecular Formula	C6H12N2O
Molecular Weight	128.1723
SMILES	O=C1NCCCC[C@@H]1N
Synonyms	21568-87-6, (s)-3-aminoazepan-2-one, (S)-3-Amino-2-azepanone, (3S)-3-aminoazepan-2-one, (s)-alpha-amino-omega-caprolactam, (s)-3-amino-hexahydro-2-azepinone, l-Alpha-amino-epsilon-caprolactam, (s)-(-)-alpha-amino-omega-caprolactam, L-2-Amino-cycloheptalactam, L-Lysine 1,6-lactam, L-2-aminohexano-6-lactam, (s)-3-amino-azepan-2-one, L-alpha-aminocaprolactam, 2H-Azepin-2-one, 3-aminohexahydro-, (3S)-, CHEBI:17342, (3~{s})-3-Azanylazepan-2-One, Q-103175, L-2-Amino-hexano-6-lactam, (S)-2-Aminohexano-6-lactam, L-(-)-alpha-amino-epsilon-caprolactam, PubChem14097, (3S)-3-aminohexahydro-2H-azepin-2-one, l-alpha-amino-caprolactam, C02837, AC1L99LU, (S)-Amino-omega-caprolactam, (R);-3-Aminoazepan-2-one, AZE017, CHEMBL288850, SCHEMBL1114446, CTK7H6369, DTXSID60331504, BOWUOGIPSRVRSJ-YFKPBYRVSA-N, ACN-S002948, ACT05209, BB_NC-00004, l-(-)-3-amino-epsilon-caprolactam, ZINC3785353, (s)-(-)-a-amino-omega-caprolactam, ANW-48045, CA-310, FCH920463, MFCD00064476, WT1128, L-(-)alpha-amino-epsilon-caprolactam, AKOS006345206, AKOS007930225, AC-1938, CS-W002297, MCULE-2707429520, (s)-3-aminohexahydro-2h-azepin-2-one, AJ-45608, AK-44433, AM803517, AN-14475, AS-44384, BP-13062, BR-44433, OR322465, AB0005733, AB1000584, AX8002971, DB-016819, ST2414630, TC-136790, A4636, FT-0627637, V2119, W4476, A56020, S-4451, 081S072, C-01143, I05-0329, 21568-87-6 (3S)-3-Amino-4,5,6,7-tetrahydro-1H-azepine-2(3H)-one, 8F4, null, C6H13ClN2O, C6H12N2O, CID440599, CB11441, -3-AMINO-HEXAHYDRO-2-AZEPINONE, 2H-Azepin-2-one, 3-aminohexahydro-, (3R)-, 26081-07-2, 28957-33-7,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	2
Isotope Atom Count	0
Molecular Weight	128.175g/mol
Monoisotopic Mass	128.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55.1A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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