AG00IE41

865370-16-7 | Ethyl 2-(tert-butoxycarbonylamino)-2-cyanoacetate

AG00IE41

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CAS Number	865370-16-7
Catalog Number	AG00IE41(AGN-PC-0NI093)
Chemical Name	Ethyl 2-(tert-butoxycarbonylamino)-2-cyanoacetate
IUPAC Name	ethyl 2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
InChI	InChI=1S/C10H16N2O4/c1-5-15-8(13)7(6-11)12-9(14)16-10(2,3)4/h7H,5H2,1-4H3,(H,12,14)
InChI Key	KJUZWYMGERWKTL-UHFFFAOYSA-N
MDL Number	MFCD11616708
Molecular Formula	C10H16N2O4
Molecular Weight	228.2450
SMILES	O=C(OCC)C(NC(OC(C)(C)C)=O)C#N
Synonyms	865370-16-7, N-Bocamino-cyano-acetic acid ethyl ester, Ethyl 2-(tert-butoxycarbonylamino)-2-cyanoacetate, Ethyl 2-((tert-butoxycarbonyl)amino)-2-cyanoacetate, SCHEMBL498653, KJUZWYMGERWKTL-UHFFFAOYSA-N, KM2420, MFCD11616708, AKOS026672284, FCH1628342, AS-55002, TZ000714, AX8277172, CS-0035554, Ethyl 2-(tert-butoxycarbonylamino)-2- cyanoacetate, N-(tert-Butoxycarbonyl)-2-cyanoglycine ethyl ester, Acetic acid, cyano[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, ETHYL2- -2-CYANOACETATE, tert-butyl(ethoxycarbonyl)(cyano)methylcarbamate, N-Bocamino-cyano-acetic acid ethyl ester, 98% - 10G 10g,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.111g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.248g/mol
Monoisotopic Mass	228.111g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	88.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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