AG00BDBN

215790-29-7 | tert-Butyl trans-4-(2-oxoethyl)cyclohexylcarbamate

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CAS Number	215790-29-7
Catalog Number	AG00BDBN(AGN-PC-0O7VK8)
Chemical Name	tert-Butyl trans-4-(2-oxoethyl)cyclohexylcarbamate
IUPAC Name	tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate
InChI	InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h9-11H,4-8H2,1-3H3,(H,14,16)
InChI Key	OPGBSEXLSWYFOR-UHFFFAOYSA-N
MDL Number	MFCD03844592
Molecular Formula	C13H23NO3
Molecular Weight	241.3266
SMILES	O=CC[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Synonyms	215790-29-7, TERT-BUTYL TRANS-4-(2-OXOETHYL)CYCLOHEXYLCARBAMATE, 847417-37-2, tert-Butyl cis-4-(2-oxoethyl)cyclohexylcarbamate, MFCD03844591, MFCD03844592, 886850-97-1, cis-tert-Butyl (4-(2-oxoethyl)cyclohexyl)carbamate, tert-Butyl (trans-4-(2-oxoethyl)cyclohexyl)carbamate, Carbamic acid, [4-(2-oxoethyl)cyclohexyl]-,1,1-dimethylethyl ester (9CI), Carbamic acid,N-[trans-4-(2-oxoethyl)cyclohexyl]-, 1,1-dimethylethyl ester, tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate, SCHEMBL224929, SCHEMBL224930, SCHEMBL11921121, SCHEMBL12536055, CTK4E7184, CTK5G1208, OPGBSEXLSWYFOR-UHFFFAOYSA-N, OPGBSEXLSWYFOR-XYPYZODXSA-N, ZINC2518234, 0499AF, 7330AD, AKOS015904322, AKOS025403870, AKOS027327286, ZINC100007037, ZINC100007275, SB17931, AS-43517, AS-43520, SC-84543, CS-0056805, K-6158, Tert-butyl [4-(2-oxoethyl)cyclohexyl]carbamate, trans-tert-butyl-4-(2-oxoethyl)-cyclohexylcarbamate, cis-4-(tert-Butoxycarbonylamino)cyclohexylacetaldehyde, I14-17127, I14-17128, tert-butyl (1r,4r)-4-(2-oxoethyl)cyclohexylcarbamate, trans-tert-butyl (4-(2-oxoethyl)cyclohexyl)carbamate, trans-4-(tert-Butoxycarbonylamino)cyclohexylacetaldehyde, TERT-BUTYL TRANS-4-(2-OXOETHYL)CYCLOHEXYLCARBAMATE,, [4-(2-oxo-ethyl)-cyclohexyl]-carbamic acid tert-butyl ester, 1,1-dimethylethyl [trans-4-(2-oxoethyl)cyclohexyl]carbamate, 4beta-(tert-Butoxycarbonylamino)cyclohexane-1alpha-acetaldehyde, trans-4-(2-oxoethyl)cyclohexyl-carbamic acid tert-butyl ester, [trans-4-(2-oxo-ethyl)-cyclohexyl]-carbamic acid tert-butyl ester, Trans-[4-(2-Oxo-ethyl)-cyclohexyl]-carbamic acid tert-butyl ester, Trans-[4-(2-Oxo-ethyl)-cyclohexyl]-carbamic acid tert-butylester, N-[4beta-(2-Oxoethyl)cyclohexane-1alpha-yl]carbamic acid tert-butyl ester, N-[trans-4-(2-Oxoethyl)cyclohexyl]carbamic Acid 1,1-Dimethylethyl Ester, Carbamic acid, N-[trans-4-(2-oxoethyl)cyclohexyl]-, 1,1-dimethylethyl ester, C13H23NO3, cis-4-(N-BOC-amino)cyclohexylethanal, TERT-BUTYLTRANS-4- CYCLOHEXYLCARBAMATE, TERT-BUTYLTRANS-4-(2-OXOETHYL)CYCLOHEXYLCARBAMATE, Carbamic acid, [4-(2-oxoethyl)cyclohexyl]-, 1,1-dimethylethyl ester,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.168g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.331g/mol
Monoisotopic Mass	241.168g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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