200,000+ products from a single source!
sales@angenechem.com
100581-97-3 | 2-Butenoic acid, 4-(dodecylamino)-4-oxo-
CAS No: 100581-97-3 Catalog No: AG0002DT MDL No:
Product Description
Catalog Number:
AG0002DT
Chemical Name:
2-Butenoic acid, 4-(dodecylamino)-4-oxo-
CAS Number:
100581-97-3
Molecular Formula:
C16H29NO3
Molecular Weight:
283.4064
IUPAC Name:
4-(dodecylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(19)20/h12-13H,2-11,14H2,1H3,(H,17,18)(H,19,20)
InChI Key:
OEWYPDFKPCJYMS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)C=CC(=O)O
EC Number:
257-960-0
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.215g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.412g/mol
Monoisotopic Mass:
283.215g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.