N,N-Dibutylphenethylamine
Basic information
- CAS
5779-51-1- Standard SMILES
CCCCN(CCCC)CCc1ccccc1- InChIKey
LEHSOUZQZPUDEC-UHFFFAOYSA-N- Molecular formula
- C16H27N
- Average molar mass
- 233.39 g/mol
- Monoisotopic mass
- 233.21434987
Names & identifiers
- Preferred name
- N,N-Dibutylphenethylamine
- IUPAC
- N-butyl-N-(2-phenylethyl)butan-1-amine
- English name
- Dibutyl-phenethyl-amine
- Molecular formula
- C16H27N
- Molecular weight
- 233.39228
Names & synonyms
5779-51-1N,N-DibutylphenethylamineDIBUTYL-PHENETHYL-AMINEPhenethylamine, N,N-dibutyl-N-butyl-N-(2-phenylethyl)butan-1-amineY7E6E65ZMZNSC-97359N,N-DibutylbenzeneethanamineNSC97359EINECS 227-301-1UNII-Y7E6E65ZMZ2-phenylethyldi-n-butylamine
Show more names
PhenethyldibutylamineN-butyl-N-phenethylbutan-1-amineN-Butyl-N-phenethylbutane-1-amine
SCHEMBL5879246Benzeneethanamine, N,N-dibutyl-DTXSID502064792-Phenylethylamine, N,N-dibutyl-NSC 97359AKOS015963057DB-319113NS00033790
Database identifiers
- CAS
5779-51-1- PubChem CID
- 79842
- DTXSID
DTXSID50206479- UNII
- Y7E6E65ZMZ
- EC Number
- 227-301-1
- Nikkaji
- J215.904J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 162 · 162-168 °C(Press: 10 Torr)
- Density
- 0.892 · 0.892±0.06 g/cm3(Predicted)
- pka
- 9.91 · 9.91±0.50(Predicted)
- FDA UNII
- 7 E6E65ZMZ · Y7E6E65ZMZ
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Related reactions
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Compound notes
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