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140865-55-0 | 2-Butenamide, 2-cyano-N-dodecyl-4-(1-methyl-2-pyrrolidinylidene)-
CAS No: 140865-55-0 Catalog No: AG001CX8 MDL No:
Product Description
Catalog Number:
AG001CX8
Chemical Name:
2-Butenamide, 2-cyano-N-dodecyl-4-(1-methyl-2-pyrrolidinylidene)-
CAS Number:
140865-55-0
Molecular Formula:
C22H37N3O
Molecular Weight:
359.5487
IUPAC Name:
2-cyano-N-dodecyl-4-(1-methylpyrrolidin-2-ylidene)but-2-enamide
InChI:
InChI=1S/C22H37N3O/c1-3-4-5-6-7-8-9-10-11-12-17-24-22(26)20(19-23)15-16-21-14-13-18-25(21)2/h15-16H,3-14,17-18H2,1-2H3,(H,24,26)
InChI Key:
JCKVYVSPVWYYQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)C(=CC=C1CCCN1C)C#N
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.294g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.558g/mol
Monoisotopic Mass:
359.294g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.5
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