[(S)-tert-butyl(phenyl)phosphoryl][(1S)-1-phenylethyl]amine

• ChemBase ID: 280822
• Molecular Formular: C18H24NOP
• Molecular Mass: 301.363021
• Monoisotopic Mass: 301.15955102
• SMILES: [P@@](=O)(N[C@H](c1ccccc1)C)(C(C)(C)C)c1ccccc1
• Canonical SMILES: C[C@@H](c1ccccc1)N[P@](=O)(C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C18H24NOP/c1-15(16-11-7-5-8-12-16)19-21(20,18(2,3)4)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,19,20)/t15-,21+/m0/s1
• InChIKey: RLBMIUWPBJMKRP-YCRPNKLZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(S)-tert-butyl(phenyl)phosphoryl][(1S)-1-phenylethyl]amine
• IUPAC Traditional name: [(S)-tert-butyl(phenyl)phosphoryl][(1S)-1-phenylethyl]amine
• Synonyms: P-(tert-butyl)-P-phenyl-N-[(1S)-1-phenylethyl]phosphinic amide

Database IDs

• MDL Number: MFCD09863833
• PubChem SID: 180666353
• PubChem CID: 11472136

CALCULATED PROPERTIES

• Acid pKa: 18.934063
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9726076
• LogD (pH = 7.4): 4.0352726
• Log P: 4.0365
• Molar Refractivity: 89.6476 cm^3
• Polarizability: 35.382862 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.348

Product Information

• Purity: 95%