Basic information
- CAS
20634-52-0- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C(C)N- InChIKey
IKUBTICTFSSHQW-UHFFFAOYSA-N- Molecular formula
- C22H43NO2
- Average molar mass
- 353.6 g/mol
- Monoisotopic mass
- 353.32937961
Names & identifiers
- Preferred name
- Octadecyl 3-amino-2-butenoate
- IUPAC
- octadecyl 3-aminobut-2-enoate
- English name
- octadecyl 3-amino-2-butenoate
- Molecular formula
- C22H43NO2
- Molecular weight
- 353.58
Names & synonyms
Octadecyl 3-amino-2-butenoate20634-52-0octadecyl 3-aminobut-2-enoateEINECS 243-930-4SCHEMBL31531979DTXSID00942830IKUBTICTFSSHQW-UHFFFAOYSA-NNS000514513-Amino-2-butenoic acid octadecyl ester2-Butenoic acid, 3-amino-, octadecyl ester
Database identifiers
- CAS
20634-52-0- PubChem CID
- 89362
- DTXSID
DTXSID00942830- EC Number
- 243-930-4
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 462.2 · 462.2±18.0 °C(Predicted)
- Density
- 0.901 · 0.901±0.06 g/cm3(Predicted)
- pka
- 5.3 · 5.30±0.70(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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