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85237-86-1 | 2-Butenamide,N-methyl-3-(methylamino)-
CAS No: 85237-86-1 Catalog No: AG004V86 MDL No:
Product Description
Catalog Number:
AG004V86
Chemical Name:
2-Butenamide,N-methyl-3-(methylamino)-
CAS Number:
85237-86-1
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
IUPAC Name:
(Z)-N-methyl-3-(methylamino)but-2-enamide
InChI:
InChI=1S/C6H12N2O/c1-5(7-2)4-6(9)8-3/h4,7H,1-3H3,(H,8,9)/b5-4-
InChI Key:
QDEUCPLXUDTYOV-PLNGDYQASA-N
SMILES:
CNC(=CC(=O)NC)C
EC Number:
286-449-5
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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