AG002HC4

1888-91-1 | 2H-AZEPIN-2-ONE, 1-ACETYLHEXAHYDRO-

AG002HC4

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CAS Number	1888-91-1
Catalog Number	AG002HC4(AGN-PC-0JKCKJ)
Chemical Name	2H-AZEPIN-2-ONE, 1-ACETYLHEXAHYDRO-
EC Number	217-565-6
IUPAC Name	1-acetylazepan-2-one
InChI	InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
InChI Key	QISSLHPKTCLLDL-UHFFFAOYSA-N
MDL Number	MFCD00003262
Molecular Formula	C8H13NO2
Molecular Weight	155.1943
NSC Number	522408
SMILES	O=C1N(C(C)=O)CCCCC1
UNII	171CCE77J8
Synonyms	N-Acetylcaprolactam, 1-Acetylazepan-2-one, 1888-91-1, Acetylcaprolactam, N-Acetyl-6-caprolactam, 2H-AZEPIN-2-ONE, 1-ACETYLHEXAHYDRO-, Acetylkaprolaktam, N-Acetylhexanelactam, Acetylkaprolaktam [Czech], 1-Acetylhexahydro-2H-azepin-2-one, N-Acetyl-epsilon-caprolactam, NSC 522408, EINECS 217-565-6, NSC522408, BRN 0119598, UNII-171CCE77J8, AI3-39193, N-Acetyl-.epsilon.-caprolactam, 1-Acetyl-2-oxohexamethyleneimine, N-Acetyl-2-oxohexamethyleneimine, 171CCE77J8, 1-Acetylhexahydro-2H-azepine-2-one, MFCD00003262, 2H-Azepin-2-one, 1-acetyltetrahydro-, 1-acetyl-2-oxoazaperhydroepine, n-acetyl-e-caprolactam, timtec-bb sbb008053, N-Acetyl-6-hexanolactone, 1-Acetyl-2-azepanone #, N-Acetylcaprolactam, 99%, SCHEMBL18566, 5-21-06-00460 (Beilstein Handbook Reference), CHEMBL12355, AC1L26V9, DTXSID1062041, CTK6A0429, QISSLHPKTCLLDL-UHFFFAOYSA-N, ZINC4521104, 1-Acetyl-hexahydro-2H-azepin-2-one, ANW-41539, SBB008053, AKOS015903500, ACM1888911, FCH1118619, MCULE-4370546215, NSC-522408, RL02394, KS-000012Y8, AJ-51368, AN-50057, CC-32279, LS-22976, AX8142970, DB-030110, A0081, FT-0629803, ST24026981, ST50824511, Y4926, C-29923, J-012176, J-523433, I14-18493, InChI=1/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H, C8H13NO2, C8-H13-N-O2, CID15904,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	155.197g/mol
Monoisotopic Mass	155.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number