Basic information
- CAS
20172-42-3- Standard SMILES
CCCCCCCCCCCCN=Cc1ccccc1- InChIKey
RRDJYGJOZRFVNY-UHFFFAOYSA-N- Molecular formula
- C19H31N
- Average molar mass
- 273.5 g/mol
- Monoisotopic mass
- 273.24564999
Names & identifiers
- Preferred name
- N-(Phenylmethylene)-1-dodecanamine
- IUPAC
- N-dodecyl-1-phenylmethanimine
- English name
- N-benzylidenedodecylamine
- Molecular formula
- C19H31N
- Molecular weight
- 273.46
Names & synonyms
20172-42-3N-(Phenylmethylene)-1-dodecanamineRefChem:362847N-BenzylidenedodecylamineN-benzylidene-n-dodecylamineN-dodecyl-1-phenylmethanimineSCHEMBL8084586SCHEMBL9007163DTXSID101295914EINECS 243-560-3NS000506851-Dodecanamine, N-(phenylmethylene)-
Database identifiers
- CAS
20172-42-3- PubChem CID
- 89283
- DTXSID
DTXSID101295914- EC Number
- 243-560-3
- Nikkaji
- J159.703E、J3.119.174B
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 167 °C · 167 °C(Press: 1 Torr)
- Density
- 0.87 · 0.87±0.1 g/cm3(Predicted)
- pka
- 5.54 · 5.54±0.50(Predicted)
Related reactions
2 records
Compound notes
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