AG004YVH

83621-33-4 | Benzyl 4-oxoazepane-1-carboxylate

AG004YVH

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CAS Number	83621-33-4
Catalog Number	AG004YVH(AGN-PC-0UP21A)
Chemical Name	Benzyl 4-oxoazepane-1-carboxylate
IUPAC Name	benzyl 4-oxoazepane-1-carboxylate
InChI	InChI=1S/C14H17NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChI Key	ORJQXZSDLARZBC-UHFFFAOYSA-N
MDL Number	MFCD03788442
Molecular Formula	C14H17NO3
Molecular Weight	247.2897
SMILES	O=C1CCCN(CC1)C(=O)OCC2=CC=CC=C2
Synonyms	Benzyl 4-oxoazepane-1-carboxylate, 83621-33-4, N-Cbz-hexahydro-1H-azepin-4-one, N-Cbz-azepan-4-one, Azepan-4-one, N-CBZ protected, N-CBZ-PERHYDROAZEPIN-4-ONE, 4-OXO-AZEPANE-1-CARBOXYLIC ACID BENZYL ESTER, Perhydroazepin-4-one, N-CBZ protected, AK-37782, AC1LTQMX, n-cbz-4-perhydroazepinone, N-CBZ-4-OXOAZEPANE, SCHEMBL467515, CTK5F0904, DTXSID60363769, ORJQXZSDLARZBC-UHFFFAOYSA-N, KS-00000K7P, ZINC1433381, ZX-AT002083, ANW-49770, MFCD03788442, OR4404, SC1561, WT1138, AKOS015855350, CC-2023, CS-W006808, FCH2717331, FS-3087, PB26079, RP07760, RTR-039690, AC-26469, AJ-25931, AN-36065, BENZYL 4-OXO-1-AZEPANECARBOXYLATE, BR-37782, CJ-04988, CJ-23408, EN000299, SC-35855, SY034526, 1-CBZ-HEXAHYDRO-4-OXO-1H-AZEPINE, 83621-33-4 N-CBZ-4-perhydroazepinone, AB0026915, AX8029694, DB-012371, ST2419141, TR-039690, 4CH-013164, AM20050592, FT-0685716, W8671, MFCD03788442 (95%), Benzyl 4-oxoazepane-1-carboxylate, AldrichCPR, C12752, S-4202, 1-(Benzyloxycarbonyl)hexahydro-1H-azepine-4-one, 621B334, J-519813, I14-15025, n-cbz-4-perhydroazepinone n-cbz-perhydroazepin-4-one, 1h-azepine-1-carboxylic acid, hexahydro-4-oxo-, phenylmethyl ester, 1H-Azepine-1-carboxylicacid, hexahydro-4-oxo-, phenylmethyl ester, Benzyl4-oxoazepane-1-carboxylate, C14H17NO3, CID1512681, A10092,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.294g/mol
Monoisotopic Mass	247.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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