AG001MHG

15029-36-4 | Acetamide, 2-​cyano-​N-​ethyl-

AG001MHG

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CAS Number	15029-36-4
Catalog Number	AG001MHG(AGN-PC-0JO2DA)
Chemical Name	Acetamide, 2-​cyano-​N-​ethyl-
IUPAC Name	2-cyano-N-ethylacetamide
InChI	InChI=1S/C5H8N2O/c1-2-7-5(8)3-4-6/h2-3H2,1H3,(H,7,8)
InChI Key	VARXTXAOJGBDDV-UHFFFAOYSA-N
MDL Number	MFCD00118415
Molecular Formula	C5H8N2O
Molecular Weight	112.1298
NSC Number	112760
SMILES	C(=O)(CC#N)NCC
Synonyms	2-cyano-n-ethylacetamide, 15029-36-4, Acetamide, 2-cyano-N-ethyl-, N1-ETHYL-2-CYANOACETAMIDE, 2-cyano-N-ethyl-acetamide, Acetamide,2-cyano-N-ethyl-, CHEMBL2333145, 3-(Ethylamino)-3-oxopropanenitrile, N-ethylcyanoacetamide, NSC112760, N-ethyl cyanoacetamide, AC1L6OFH, AC1Q4RY8, SCHEMBL215502, CTK4C6584, DTXSID30296939, VARXTXAOJGBDDV-UHFFFAOYSA-N, ALBB-023461, KS-00000ZD0, ZINC3157711, 4652AD, BDBM50428731, MFCD00118415, SBB000040, STL481973, 2-Cyano-N-ethylacetamide, AldrichCPR, AKOS000161373, MCULE-4756290560, NSC-112760, RP19061, AJ-44601, ST024125, DB-026790, 4CH-022246, FT-0647603, ST24040507, K-4782, J-509225, cyano-acetic acid benzylamide, C5H8N2O, AR-1E0894, CID270362, 15087-70-4,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.064g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.132g/mol
Monoisotopic Mass	112.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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