bis(adamantan-1-yl)(benzyl)phosphane

• ChemBase ID: 287082
• Molecular Formular: C27H37P
• Molecular Mass: 392.556441
• Monoisotopic Mass: 392.26328781
• SMILES: P(C12CC3CC(C1)CC(C3)C2)(C12CC3CC(C1)CC(C3)C2)Cc1ccccc1
• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)P(C12CC3CC(C2)CC(C1)C3)Cc1ccccc1
• InChI: InChI=1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2
• InChIKey: ANIAFEJRWQDKDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(adamantan-1-yl)(benzyl)phosphane
• IUPAC Traditional name: bis(adamantan-1-yl)(benzyl)phosphane
• Synonyms: Di(adamantan-1-yl)(benzyl)phosphine

Database IDs

• CAS Number: 395116-70-8
• MDL Number: MFCD05861603
• PubChem SID: 180672613
• PubChem CID: 11271420

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3375263
• LogD (pH = 7.4): 5.337606
• Log P: 5.5221
• Molar Refractivity: 122.848 cm^3
• Polarizability: 47.40076 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%