AG003SVZ

16801-63-1 | Benzyl (4-oxocyclohexyl)carbamate

AG003SVZ

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CAS Number	16801-63-1
Catalog Number	AG003SVZ(AGN-PC-001Z2E)
Chemical Name	Benzyl (4-oxocyclohexyl)carbamate
IUPAC Name	benzyl N-(4-oxocyclohexyl)carbamate
InChI	InChI=1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChI Key	VHXBIBFCJISKFA-UHFFFAOYSA-N
MDL Number	MFCD06658393
Molecular Formula	C14H17NO3
Molecular Weight	247.2897
SMILES	O=C(NC1CCC(=O)CC1)OCC1=CC=CC=C1
Synonyms	16801-63-1, Benzyl (4-oxocyclohexyl)carbamate, 4-N-Cbz-cyclohexanone, 4-n-cbz-aminocyclohexanone, (4-oxocyclohexyl)carbamic acid benzyl ester, 4-N-Cbz-amino-cyclohexanone, 4-(Cbz-amino)cyclohexanone, 4-(benzyloxycarbonylamino)cyclohexanone, n-cbz-4-amino-cyclohexanone, benzyl N-(4-oxocyclohexyl)carbamate, n-cbz-4-aminocyclohexanone, benzyl 4-oxocyclohexylcarbamate, (4-Oxo-cyclohexyl)-carbamic acid benzyl ester, MFCD06658393, Carbamic acid, (4-oxocyclohexyl)-, phenylmethyl ester, N-(4-oxocyclohexyl)(phenylmethoxy)carboxamide, PubChem13895, ACMC-209dxk, SCHEMBL718895, CTK3J0242, DTXSID10562205, VHXBIBFCJISKFA-UHFFFAOYSA-N, N-Cbz-4-aminocyclohexanone, 97%, ACT03183, KS-00000C5H, 4-Benzyloxycarbonylaminocyclohexanone, ANW-22326, BBL103859, SBB063903, STL557669, ZINC12359134, AKOS005254443, AC-5743, CS-W003311, GS-3266, LS41890, MCULE-8953473578, RP28779, RTR-007292, TRA0081211, VZ29475, 4-(benzyloxycarbonylamino) cyclohexanone, N-benzyloxycarbonyl-4-aminocyclohexanone, AJ-61376, AK-33617, AN-10674, BC220699, BR-33617, CJ-13863, SC-25732, SY023322, AB0005387, ST2406663, TR-007292, 4CH-012816, AM20060955, FT-0630123, ST50827675, C-6114, O57098, MFCD06658393 (97+%), 801O631, A810931, I01-3272, J-010423, J-515854, (phenylmethyl) N-(4-oxidanylidenecyclohexyl)carbamate, N-(4-oxocyclohexyl)carbamic acid (phenylmethyl) ester, Carbamic acid, N-(4-oxocyclohexyl)-, phenylmethyl ester, C14H17NO3, (4-Oxo-cyclohexyl)-carbamic acid benzyl ester, 97% - 1G 1g,

Complexity	287
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	1
Isotope Atom Count	0
Molecular Weight	247.294g/mol
Monoisotopic Mass	247.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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