2-Propenoic acid, 2-cyano-3-(decylamino)-, pentyl ester
Basic information
- CAS
89269-02-3- Standard SMILES
CCCCCCCCCCN/C=C(\C#N)C(=O)OCCCCC- InChIKey
QNOCJXIUNLPPSN-ISLYRVAYSA-N- Molecular formula
- C19H34N2O2
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.26202833
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-(decylamino)-, pentyl ester
- IUPAC
- pentyl (E)-2-cyano-3-(decylamino)prop-2-enoate
Names & synonyms
2-Propenoic acid, 2-cyano-3-(decylamino)-, pentyl ester89269-02-3
Database identifiers
- CAS
89269-02-3- PubChem CID
- 3037511
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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