AG0072UK

412293-43-7 | CarbaMic acid, (1-Methyl-4-oxocyclohexyl)-, 1,1-diMethylethyl ester

AG0072UK

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CAS Number	412293-43-7
Catalog Number	AG0072UK(AGN-PC-03H4WL)
Chemical Name	CarbaMic acid, (1-Methyl-4-oxocyclohexyl)-, 1,1-diMethylethyl ester
IUPAC Name	tert-butyl N-(1-methyl-4-oxocyclohexyl)carbamate
InChI	InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-12(4)7-5-9(14)6-8-12/h5-8H2,1-4H3,(H,13,15)
InChI Key	YIVQKLSACUDWHD-UHFFFAOYSA-N
MDL Number	MFCD18374771
Molecular Formula	C12H21NO3
Molecular Weight	227.3000
SMILES	O=C(OC(C)(C)C)NC1(C)CCC(CC1)=O
Synonyms	412293-43-7, tert-butyl (1-methyl-4-oxocyclohexyl)carbamate, (1-Methyl-4-oxo-cyclohexyl)-carbamic acid tert-butyl ester, TERT-BUTYL N-(1-METHYL-4-OXOCYCLOHEXYL)CARBAMATE, Carbamic acid, (1-methyl-4-oxocyclohexyl)-, 1,1-dimethylethyl ester, carbamic acid, n-(1-methyl-4-oxocyclohexyl)-, 1,1-dimethylethyl ester, SCHEMBL3206281, CTK1D3976, DTXSID30619361, YIVQKLSACUDWHD-UHFFFAOYSA-N, MFCD18374771, ZINC90635965, AKOS025289549, FCH1623730, SB22023, KS-000008O5, 1-(Boc-amino)-1-methylcyclohexan-4-one, AK170548, AS-51289, CS-0048089, 4-tert-butoxycarbonyl-amino-4-methylcyclohexanone, tert-Butyl (1-methyl-4-oxocyclohexyl);carbamate,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.304g/mol
Monoisotopic Mass	227.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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