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

• ChemBase ID: 140719
• Molecular Formular: C26H24NP
• Molecular Mass: 381.449221
• Monoisotopic Mass: 381.1646364
• SMILES: c1ccc(cc1)[C@@H]([C@H](c1ccccc1)P(c1ccccc1)c1ccccc1)N
• 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-/m0/s1
• InChIKey: MIPGTOGPLXZBQX-UIOOFZCWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,2S)-2-amino-1,2-diphenylethyl]diphenylphosphane
• IUPAC Traditional name: [(1S,2S)-2-amino-1,2-diphenylethyl]diphenylphosphane
• Synonyms: (S,S)-(+)-2-Diphenylphosphino-1,2-diphenylethylamine; (1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethylamine; (1S,2S)-2-(二苯基膦)-1,2-二苯乙胺

Database IDs

• CAS Number: 1091606-67-5
• MDL Number: MFCD11045444
• PubChem SID: 162234959
• PubChem CID: 46177587

CALCULATED PROPERTIES

• 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
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 87-93 °C; 87-93°C
• Optical Rotation: [α]22/D +179°, c = 0.5 in chloroform; +179 (c=0.5 in chloroform)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97+%
• Empirical Formula (Hill Notation): C26H24NP

DETAILS

Sigma Aldrich - 697389

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