Basic information
- CAS
10137-80-1- Standard SMILES
CCCCC(CC)CNc1ccccc1- InChIKey
GXFHZISVUPJOCI-UHFFFAOYSA-N- Molecular formula
- C14H23N
- Average molar mass
- 205.34 g/mol
- Monoisotopic mass
- 205.18304974
Names & identifiers
- Preferred name
- N-(2-Ethylhexyl)aniline
- IUPAC
- N-(2-ethylhexyl)aniline
- English name
- N-(2-Ethylhexyl)aniline
- Molecular formula
- C14H23N
- Molecular weight
- 205.34
Names & synonyms
N-(2-Ethylhexyl)anilineBenzenamine, N-(2-ethylhexyl)-N-(2-Ethylhexyl)benzenamineAniline, N-(2-ethylhexyl)-Hexylamine, 2-ethyl-N-phenyl-BRN 3254861UNII-76A9GJF99S76A9GJF99SDTXSID309060863-12-00-00275 (Beilstein Handbook Reference)RefChem:161735DTXCID101335186
Show more names
Benzenamine, N-(2-ethylhexyl)-(9CI)10137-80-1N-2-(Ethylhexyl)anilineSCHEMBL3248985AKOS012797433Q27266480
Database identifiers
- CAS
10137-80-1- PubChem CID
- 61484
- DTXSID
DTXSID30906086- UNII
- 76A9GJF99S
- Nikkaji
- J55.226G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 285.87 °C · 285.87°C (estimate)
- Density
- 0.912 · 0.9120
- refractive index
- 1.5105 · 1.5105 (estimate)
- pka
- 4.76 · 4.76±0.50(Predicted)
- FDA UNII
- 76 A9GJF99S · 76A9GJF99S
Chemistry & industry
Applications
UsesSolvent, organic synthesis.
Related reactions
4 records
Compound notes
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