[tert-butyl(phenyl)phosphanyl][(1R)-1-phenylethyl]amine borane

• ChemBase ID: 280821
• Molecular Formular: C18H27BNP
• Molecular Mass: 299.198441
• Monoisotopic Mass: 299.1974169
• SMILES: P(N[C@@H](c1ccccc1)C)(C(C)(C)C)c1ccccc1.B
• Canonical SMILES: C[C@H](c1ccccc1)NP(C(C)(C)C)c1ccccc1.B
• InChI: InChI=1S/C18H24NP.BH3/c1-15(16-11-7-5-8-12-16)19-20(18(2,3)4)17-13-9-6-10-14-17;/h5-15,19H,1-4H3;1H3/t15-,20?;/m1./s1
• InChIKey: DXSJCVNJNOUUFI-SMRSSTSJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [tert-butyl(phenyl)phosphanyl][(1R)-1-phenylethyl]amine borane
• IUPAC Traditional name: [tert-butyl(phenyl)phosphanyl][(1R)-1-phenylethyl]amine borane
• Synonyms: P-(tert-butyl)-P-phenyl-N-[(1R)-1-phenylethyl]phosphinous amide - borane

Database IDs

• MDL Number: MFCD09863832
• PubChem SID: 180666352
• PubChem CID: 43810868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3577892
• LogD (pH = 7.4): 2.621573
• Log P: 4.7539
• Molar Refractivity: 98.8196 cm^3
• Polarizability: 35.30175 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.637

Product Information

• Purity: 95%