2-(Dodecylamino)propane-1,3-diol
Basic information
- CAS
138969-01-4- Standard SMILES
CCCCCCCCCCCCNC(CO)CO- InChIKey
MSKNATSZRVQUDC-UHFFFAOYSA-N- Molecular formula
- C15H33NO2
- Average molar mass
- 259.43 g/mol
- Monoisotopic mass
- 259.2511293
Names & identifiers
- Preferred name
- 2-(Dodecylamino)propane-1,3-diol
- IUPAC
- 2-(dodecylamino)propane-1,3-diol
Names & synonyms
138969-01-42-(dodecylamino)propane-1,3-diolSCHEMBL1222755DTXSID70601669AKOS014649313
Database identifiers
- CAS
138969-01-4- PubChem CID
- 19985263
- DTXSID
DTXSID70601669
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 149
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Compound notes
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