AG000SF1

1262411-00-6 | Cyclohexaneacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester

AG000SF1

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CAS Number	1262411-00-6
Catalog Number	AG000SF1(AGN-PC-0H1YTS)
Chemical Name	Cyclohexaneacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
IUPAC Name	ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
InChI	InChI=1S/C15H27NO4/c1-5-19-13(17)10-11-6-8-12(9-7-11)16-14(18)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)
InChI Key	GKBUJPUBSPCDGF-UHFFFAOYSA-N
MDL Number	MFCD18374999
Molecular Formula	C15H27NO4
Molecular Weight	285.3792
SMILES	O=C(OCC)CC1CCC(NC(OC(C)(C)C)=O)CC1
Synonyms	Ethyl 2-[4-(Boc-amino)cyclohexyl]acetate, 1262411-00-6, 946598-34-1, Ethyl trans-2-[4-(Boc-amino)cyclohexyl]acetate, Ethyl 2-(trans-4-((tert-butoxycarbonyl)amino)cyclohexyl)acetate, Ethyl 2-(4-((tert-butoxycarbonyl)amino)cyclohexyl)acetate, SCHEMBL227250, SCHEMBL227251, KS-00000AJZ, GKBUJPUBSPCDGF-HAQNSBGRSA-N, 6681AJ, 6816AJ, MFCD18374999, ZINC90463043, AKOS022184102, AKOS022184123, ZINC253532940, TRA0052002, AS-32519, Ethyl2-[4-(Boc-amino)cyclohexyl]acetate, SY016714, SY017226, AJ-128731, AX8268665, DB-021394, TC-308189, TC-308331, FT-0770049, MFCD18374999 (95%), MFCD20491405 (95%), Z-4406, Trans (4-tert-Butoxycarbonylamino-cyclohexyl)-acetic acid ethyl ester, Trans-(4-tert-Butoxycarbonylamino-cyclohexyl)-acetic acid ethyl ester, Cyclohexaneacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, C15H27NO4, 2835-99-6, 95-01-2,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.194g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.384g/mol
Monoisotopic Mass	285.194g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

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