[(1R,2R)-2-amino-1,2-diphenylethyl]diphenylphosphane

• ChemBase ID: 301142
• Molecular Formular: C26H24NP
• Molecular Mass: 381.449221
• Monoisotopic Mass: 381.1646364
• SMILES: c1(ccccc1)P([C@@H]([C@@H](c1ccccc1)N)c1ccccc1)c1ccccc1
• Canonical SMILES: N[C@@H]([C@H](P(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H24NP/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,27H2/t25-,26-/m1/s1
• InChIKey: MIPGTOGPLXZBQX-CLJLJLNGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,2R)-2-amino-1,2-diphenylethyl]diphenylphosphane
• IUPAC Traditional name: [(1R,2R)-2-amino-1,2-diphenylethyl]diphenylphosphane
• Synonyms: (R,R)-(-)-2-Diphenylphosphino-1,2-diphenylethylamine

Database IDs

• CAS Number: 1091606-68-6
• MDL Number: MFCD17013982

CALCULATED PROPERTIES

• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9750051
• LogD (pH = 7.4): 3.9966588
• Log P: 6.3639
• Molar Refractivity: 118.3885 cm^3
• Polarizability: 47.199867 Å^3

PROPERTIES

Physical Property

• Optical Rotation: -179 (c=0.5 in chloroform)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97+%