[(1S,2S)-1-(diphenylphosphanyl)-1-phenylpropan-2-yl](methyl)amine

• ChemBase ID: 141325
• Molecular Formular: C22H24NP
• Molecular Mass: 333.406421
• Monoisotopic Mass: 333.1646364
• SMILES: C[C@@H]([C@H](c1ccccc1)P(c1ccccc1)c1ccccc1)NC
• Canonical SMILES: CN[C@H]([C@@H](P(c1ccccc1)c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C22H24NP/c1-18(23-2)22(19-12-6-3-7-13-19)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22-23H,1-2H3/t18-,22+/m0/s1
• InChIKey: UNCAUXRWGTXTHK-PGRDOPGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,2S)-1-(diphenylphosphanyl)-1-phenylpropan-2-yl](methyl)amine
• IUPAC Traditional name: [(1S,2S)-1-(diphenylphosphanyl)-1-phenylpropan-2-yl](methyl)amine
• Synonyms: (1S,2S)-N,1-Dimethyl-2-(diphenylphosphino)-2-phenylethylamine; (1S,2S)-(2-Methylamino-1-phenylpropyl)diphenylphosphine; (1S,2S)-N,1-二甲基-2-(二苯基膦)-2-苯乙胺; (1S,2S)-(2-甲基氨基-1-苯丙基)二苯基膦

Database IDs

• MDL Number: MFCD11044822
• PubChem SID: 162235559
• PubChem CID: 59444863

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7545109
• LogD (pH = 7.4): 2.4641397
• Log P: 5.3381
• Molar Refractivity: 103.2991 cm^3
• Polarizability: 41.251785 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 71-81 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Empirical Formula (Hill Notation): C22H24NP

DETAILS

Sigma Aldrich - 697397

Packaging
100 mg in glass bottle
Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.