AG003SWJ

6629-04-5 | N-Cyanoacetylurethane

AG003SWJ

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CAS Number	6629-04-5
Catalog Number	AG003SWJ(AGN-PC-0JKGV6)
Chemical Name	N-Cyanoacetylurethane
EC Number	229-615-4
IUPAC Name	ethyl N-(2-cyanoacetyl)carbamate
InChI	InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)
InChI Key	HSOGVWWWGVFXGF-UHFFFAOYSA-N
MDL Number	MFCD00001937
Molecular Formula	C6H8N2O3
Molecular Weight	156.1393
NSC Number	59709
SMILES	CCOC(=O)NC(=O)CC#N
UNII	7L18CT33BN
Synonyms	N-Cyanoacetylurethane, 6629-04-5, Ethyl (2-cyanoacetyl)carbamate, ethyl N-(2-cyanoacetyl)carbamate, Ethyl cyanoacetylcarbamate, Cyanoacetylurethan, Ethyl cyanacetylcarbamate, N-Cyanoacetyl ethyl carbamate, Carbamic acid, (cyanoacetyl)-, ethyl ester, UNII-7L18CT33BN, 7L18CT33BN, HSOGVWWWGVFXGF-UHFFFAOYSA-N, CARBAMIC ACID, CYANOACETYL-, ETHYL ESTER, EINECS 229-615-4, NSC 59709, BRN 1210605, N-Cyanoacetylethylcarbamate, N-Cyanourethane, Cyanacetylurethan, cyanoacetylurethane, D-beta-Homoleucine, 2-Cyanoacetylurethane, AC1L2LOX, WLN: NC1VMVO2, ACMC-1B9H8, N-Cyanoacetylurethane, 98%, N-ethoxycarbonylcyanoacetamide, ethyl(2-cyanoacetyl)carbamate, SCHEMBL700167, ethyl n-(cyanoacetyl)carbamate, ethyl (2-cyanoacetamido)formate, CTK5C4048, KS-00002YXG, DTXSID50216497, N-(2-cyanoacetyl)ethoxycarboxamide, KS-00000B6Q, NSC59709, ZINC1689745, ANW-54978, BBL013509, CCG-51498, GEO-00827, MFCD00001937, NSC-59709, SBB087127, AKOS005069392, CS-W001933, MCULE-7260608731, RP10139, TRA0021726, 2-Cyanoacetylcarbamic acid, ethyl ester, AJ-29992, AK-81732, LS-49182, SY011007, (2-Cyano-acetyl)-carbamic acid ethyl ester, AB1007672, AB1008302, DB-073729, TR-022453, 4CH-002986, FT-0679997, ST24046705, X5350, MFCD00001937 (97%), C-4000, Carbamic acid,N-(2-cyanoacetyl)-, ethyl ester, 11E-923, 4-03-00-00049 (Beilstein Handbook Reference), J-520467, J-640344, J-800347, SR-01000640793-1, I14-26396, InChI=1/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10, 1727-32-8, null, Carbamic acid, ethyl ester, C6H8N2O3, CID23112,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.141g/mol
Monoisotopic Mass	156.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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