Basic information
- CAS
2717-16-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO- InChIKey
RZEWIYUUNKCGKA-UHFFFAOYSA-N- Molecular formula
- C22H47NO4
- Average molar mass
- 389.6 g/mol
- Monoisotopic mass
- 389.35050898
Overview
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Names & identifiers
- Preferred name
- [Bis(2-hydroxyethyl)ammonium stearate]
- IUPAC
- bis(2-hydroxyethyl)azanium;octadecanoate
Names & synonyms
[bis(2-hydroxyethyl)ammonium stearate]
Database identifiers
- CAS
2717-16-0、70775-86-9、90459-60-2- PubChem CID
- 175684520
Properties
Computed structural properties
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
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Compound notes
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