Basic information
- CAS
102-88-5- Standard SMILES
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC- InChIKey
BUHHOHWMNZQMTA-UHFFFAOYSA-N- Molecular formula
- C54H111N
- Average molar mass
- 774.5 g/mol
- Monoisotopic mass
- 773.87165255
Names & identifiers
- Preferred name
- Trioctadecylamine
- IUPAC
- N,N-dioctadecyloctadecan-1-amine
- English name
- Tri-octadecylAmine
- Molecular formula
- C54H111N
- Molecular weight
- 774.47
Names & synonyms
Trioctadecylamine102-88-5N,N-dioctadecyloctadecan-1-amine1-Octadecanamine,N,N-dioctadecyl-tri-octadecylamineTrioctadecylaminSCHEMBL482577DTXSID60906978BUHHOHWMNZQMTA-UHFFFAOYSA-NAKOS024432761F943641-Octadecanamine, N,N-dioctadecyl-
Database identifiers
- CAS
102-88-5- PubChem CID
- 458429
- DTXSID
DTXSID60906978- Nikkaji
- J1.241.311D
Properties
Computed structural properties
- XLogP
- 26.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 51
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Melting point
- 54 °C · 54°C
- Boiling point
- 619.36 °C · 619.36°C (rough estimate)
- Density
- 0.9303 · 0.9303 (estimate)
- refractive index
- 1.4927 · 1.4927 (estimate)
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
6 records
Compound notes
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