AG00C086

39581-21-0 | N1-BUTYL-2-CYANOACETAMIDE

AG00C086

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CAS Number	39581-21-0
Catalog Number	AG00C086(AGN-PC-0JNT3S)
Chemical Name	N1-BUTYL-2-CYANOACETAMIDE
IUPAC Name	N-butyl-2-cyanoacetamide
InChI	InChI=1S/C7H12N2O/c1-2-3-6-9-7(10)4-5-8/h2-4,6H2,1H3,(H,9,10)
InChI Key	MGZNARROBKPUST-UHFFFAOYSA-N
MDL Number	MFCD00277934
Molecular Formula	C7H12N2O
Molecular Weight	140.1830
NSC Number	81847
SMILES	O=C(NCCCC)CC#N
Synonyms	n-butyl-2-cyanoacetamide, N1-butyl-2-cyanoacetamide, N-Butyl-2-cyano-acetamide, 39581-21-0, N-n-butyl-2-cyanoacetamide, NSC81847, AC1L5TCW, AC1Q4RYC, NCIOpen2_000718, cyanoacetic acid n butylamide, SCHEMBL319448, CHEMBL3334625, CTK6E2752, ZINC1627361, MFCD00277934, NSC-81847, AKOS000202509, MCULE-1413338131, NE11453, DB-004616, FT-0705430, ST50198262, F2199-0293, AR-1K6405, CID255865, 42832-47-3,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.186g/mol
Monoisotopic Mass	140.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number