2-Propenoic acid, 2-cyano-3-(methylamino)-, dodecyl ester
Basic information
- CAS
89268-98-4- Standard SMILES
CCCCCCCCCCCCOC(=O)/C(C#N)=C/NC- InChIKey
VSOFNLYTSCPMPT-FOCLMDBBSA-N- Molecular formula
- C17H30N2O2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.2307282
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-(methylamino)-, dodecyl ester
- IUPAC
- dodecyl (E)-2-cyano-3-(methylamino)prop-2-enoate
Names & synonyms
2-Propenoic acid, 2-cyano-3-(methylamino)-, dodecyl ester89268-98-4
Database identifiers
- CAS
89268-98-4- PubChem CID
- 3037544
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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