Basic information
- CAS
60659-43-0- Standard SMILES
CCCCCCCCCCCCCCCCCCN(CC(O)CO)CC(O)CO- InChIKey
QCOZKOLXTLBJRT-UHFFFAOYSA-N- Molecular formula
- C24H51NO4
- Average molar mass
- 417.7 g/mol
- Monoisotopic mass
- 417.38180911
Names & identifiers
- Preferred name
- 3,3'-(Octadecylimino)bispropane-1,2-diol
- IUPAC
- 3-[2,3-dihydroxypropyl(octadecyl)amino]propane-1,2-diol
- English name
- 3,3'-(octadecylimino)bispropane-1,2-diol
- Molecular formula
- C24H51NO4
- Molecular weight
- 417.67
Names & synonyms
60659-43-03,3'-(Octadecylimino)bispropane-1,2-diolEINECS 262-351-83,3'-(octadecylimino)dipropane-1,2-diolSCHEMBL9499250DTXSID90976088QCOZKOLXTLBJRT-UHFFFAOYSA-NDB-314731NS000543063,3'-(Octadecylazanediyl)di(propane-1,2-diol)Octadecylbis(2,3-dihydroxypropyl)amine3,3'-(Octadecylimino)bis(1,2-propanediol)
Show more names
1,2-Propanediol, 3,3'-(octadecylimino)bis-
Database identifiers
- CAS
60659-43-0- PubChem CID
- 108488
- DTXSID
DTXSID90976088- EC Number
- 262-351-8
- Nikkaji
- J268.250H
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 23
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Physicochemical properties
- Boiling point
- 571.8 · 571.8±43.0 °C(Predicted)
- Density
- 0.988 · 0.988±0.06 g/cm3(Predicted)
- pka
- 13.57 · 13.57±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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