AG003K9Q

400899-84-5 | Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester

AG003K9Q

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CAS Number	400899-84-5
Catalog Number	AG003K9Q(AGN-PC-04RZD3)
Chemical Name	Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate
InChI	InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3
InChI Key	JAMGILZSPQRPBH-UHFFFAOYSA-N
MDL Number	MFCD09037870
Molecular Formula	C12H21NO3
Molecular Weight	227.3000
SMILES	C(C)(C)(C)OC(N(C1CCC(CC1)=O)C)=O
Synonyms	400899-84-5, tert-butyl methyl(4-oxocyclohexyl)carbamate, 4-(N-Boc-N-methylamino)cyclohexanone, Methyl (4-oxocyclohexyl)carbamic acid tert-butyl ester, tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate, Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester, 4-(N-Boc-methylamino)cyclohexanone, SCHEMBL132240, CTK8B5700, DTXSID50647484, JAMGILZSPQRPBH-UHFFFAOYSA-N, BCP23335, ANW-49713, MFCD09037870, ZINC21299222, AKOS004910731, AC-7295, AN-9177, BCP9000488, CS-W003579, GS-4097, RP27713, SB13779, TRA0094336, KS-00000B60, AJ-78251, AK-23918, BR-23918, CJ-16860, SY005532, t-Butyl methyl-(4-oxocyclohexyl)carbamate, AB0024727, AB1000502, DB-069944, TL8002898, TR-016003, 4CH-007142, FT-0647846, ST24031863, W6050, S-3594, MFCD09037870 (95+%), A824912, I14-0422, J-521710, J-524827, Methyl-(4-oxo-cyclohexyl)-carbamic acid tert-butyl ester, N-methyl-N-(4-oxocyclohexyl)carbamic acid tert-butyl ester, tert-butyl N-methyl-N-(4-oxidanylidenecyclohexyl)carbamate, N-methyl-N-(4-oxocyclohexyl)Carbamic acid 1,1-dimethylethyl ester, null, C12H21NO3, ACN-039565, tert-butyl (4-oxocyclohexyl)methylcarbamate, tert-butyl(4-oxocyclohexyl)methylcarbamate, 809273-70-9,

Complexity	271
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	0
Isotope Atom Count	0
Molecular Weight	227.304g/mol
Monoisotopic Mass	227.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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