trihexylphosphane

• ChemBase ID: 287535
• Molecular Formular: C18H39P
• Molecular Mass: 286.476021
• Monoisotopic Mass: 286.27893788
• SMILES: CCCCCCP(CCCCCC)CCCCCC
• Canonical SMILES: CCCCCCP(CCCCCC)CCCCCC
• InChI: InChI=1S/C18H39P/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
• InChIKey: FPZZZGJWXOHLDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trihexylphosphane
• IUPAC Traditional name: trihexylphosphane
• Synonyms: Trihexylphosphine

Database IDs

• CAS Number: 4168-73-4
• MDL Number: MFCD00015285
• PubChem SID: 180673066
• PubChem CID: 77831

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.484489
• LogD (pH = 7.4): 6.486697
• Log P: 6.7373
• Molar Refractivity: 96.0318 cm^3
• Polarizability: 36.671047 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%