Azanium;octadecyl 2-methylprop-2-enoate;prop-2-enoate
Basic information
- CAS
167614-39-3- Standard SMILES
C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=CC(=O)[O-].[NH4+]- InChIKey
QKDSCBSCLIYMNL-UHFFFAOYSA-N- Molecular formula
- C25H49NO4
- Average molar mass
- 427.7 g/mol
- Monoisotopic mass
- 427.36615904
Names & identifiers
- Preferred name
- Azanium;octadecyl 2-methylprop-2-enoate;prop-2-enoate
- IUPAC
- azanium;octadecyl 2-methylprop-2-enoate;prop-2-enoate
Database identifiers
- CAS
167614-39-3- PubChem CID
- 44147702
Properties
Computed structural properties
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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