Basic information
- CAS
3061-72-1- Standard SMILES
CCCCCCCCC=CCCCCCCCCCCCC(N)=O- InChIKey
UAUDZVJPLUQNMU-UHFFFAOYSA-N- Molecular formula
- C22H43NO
- Average molar mass
- 337.6 g/mol
- Monoisotopic mass
- 337.334465
Names & identifiers
- Preferred name
- 13-Docosenamide
- IUPAC
- docos-13-enamide
- English name
- Erucamide
- Molecular formula
- C22H43NO
- Molecular weight
- 337.58
Names & synonyms
13-Docosenamide3061-72-1DTXSID20274488CHEBI:156290RefChem:1057467DTXCID90225967docos-13-enamide13docosenamideSCHEMBL15127AKOS025243514NS00077279ocos-13-enamide
Database identifiers
- CAS
3061-72-1- PubChem CID
- 8214
- DTXSID
DTXSID20274488
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 474.2 · 474.2±14.0 °C(Predicted)
- Density
- 0.874 · 0.874±0.06 g/cm3(Predicted)
- pka
- 16.61 · 16.61±0.40(Predicted)
Chemistry & industry
Suppliers1 total
佳信化工回收有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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