[(2S)-2-amino-2-phenylethyl]diphenylphosphane

• ChemBase ID: 301406
• Molecular Formular: C20H20NP
• Molecular Mass: 305.353261
• Monoisotopic Mass: 305.13333628
• SMILES: c1(ccccc1)P(C[C@H](c1ccccc1)N)c1ccccc1
• Canonical SMILES: N[C@@H](c1ccccc1)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H20NP/c21-20(17-10-4-1-5-11-17)16-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,21H2/t20-/m1/s1
• InChIKey: OTNYDYNCOCRMDG-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-2-amino-2-phenylethyl]diphenylphosphane
• IUPAC Traditional name: [(2S)-2-amino-2-phenylethyl]diphenylphosphane
• Synonyms: (S)-2-Diphenylphosphino-1-phenylethylamine

Database IDs

• CAS Number: 1103533-85-2
• MDL Number: MFCD17013989

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1587968
• LogD (pH = 7.4): 2.1520517
• Log P: 4.5519
• Molar Refractivity: 94.1335 cm^3
• Polarizability: 37.557274 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

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+%