aminotriphenylphosphanium chloride

• ChemBase ID: 79730
• Molecular Formular: C18H17ClNP
• Molecular Mass: 313.761041
• Monoisotopic Mass: 313.07871386
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)N.[Cl-]
• Canonical SMILES: N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C18H17NP.ClH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,19H2;1H/q+1;/p-1
• InChIKey: OFBPNJGUSZQYTH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: aminotriphenylphosphanium chloride
• IUPAC Traditional name: aminotriphenylphosphanium chloride
• Synonyms: amino(triphenyl)phosphonium chloride

Database IDs

• MDL Number: MFCD00032110
• PubChem SID: 162044493
• PubChem CID: 2775370

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9000833
• LogD (pH = 7.4): 3.9000833
• Log P: 3.9000833
• Molar Refractivity: 86.907 cm^3
• Polarizability: 34.143196 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true