Basic information
- CAS
28900-95-0- Standard SMILES
CCCCCCCCCCCCCCCCCCNCC(O)CO- InChIKey
ULIKETKXKSFNTL-UHFFFAOYSA-N- Molecular formula
- C21H45NO2
- Average molar mass
- 343.6 g/mol
- Monoisotopic mass
- 343.34502968
Names & identifiers
- Preferred name
- 3-(Octadecylamino)propane-1,2-diol
- IUPAC
- 3-(octadecylamino)propane-1,2-diol
- English name
- 3-(octadecylamino)propane-1,2-diol
- Molecular formula
- C21H45NO2
- Molecular weight
- 343.59
Names & synonyms
3-(Octadecylamino)propane-1,2-diol28900-95-0EINECS 249-297-0SCHEMBL6924948DTXSID309515313-Octadecylamino-1,2-Dihydroxy-PropaneN-(2,3-dihydroxypropyl)-octadecylamineN-(2,3-dihydroxypropyl)-N-octadecylamineNS000511043-(Octadecylamino)-1,2-propanediol1,2-Propanediol, 3-(octadecylamino)-
Database identifiers
- CAS
28900-95-0- PubChem CID
- 120088
- DTXSID
DTXSID30951531- EC Number
- 249-297-0
- Nikkaji
- J286.477K
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 476.4 · 476.4±30.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- pka
- 14.06 · 14.06±0.20(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
7 records
Compound notes
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