Basic information
- CAS
1667-16-9- Standard SMILES
CCCCCCCCNCc1ccccc1- InChIKey
VRYPROVLGPMATH-UHFFFAOYSA-N- Molecular formula
- C15H25N
- Average molar mass
- 219.37 g/mol
- Monoisotopic mass
- 219.1986998
Names & identifiers
- Preferred name
- N-Octylbenzenemethanamine
- IUPAC
- N-benzyloctan-1-amine
- English name
- N-benzyl-1-octanamine
- Molecular formula
- C15H25N
- Molecular weight
- 219.37
Names & synonyms
1667-16-9BENZYLAMINE, N-OCTYL-N-octylbenzenemethanamineDTXSID80168157RefChem:1092039DTXCID3090648benzyl(octyl)amineN-benzyl-1-octanamineN-benzyloctan-1-amineN-BenzyloctylamineBenzyloctylamineOctylamine, N-benzyl-
Show more names
N-OctylbenzylamineN-Benzyloctane-1-amine
Benzenemethanamine, N-octyl-BRN 26918693-12-00-02210 (Beilstein Handbook Reference)SCHEMBL1692071SCHEMBL9210794CHEMBL1178127VRYPROVLGPMATH-UHFFFAOYSA-NAKOS002619514
Database identifiers
- CAS
1667-16-9- PubChem CID
- 15464
- DTXSID
DTXSID80168157- ChEMBL
CHEMBL1178127- Nikkaji
- J28.353C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 152 · 152-157 °C
- Boiling point
- 156 · 156-157 °C(Press: 13 Torr)
- Density
- 0.8996 g/cm3 · 0.8996 g/cm3
- pka
- 9.94 · 9.94±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
2 records
Compound notes
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