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

• ChemBase ID: 141323
• Molecular Formular: C21H22NP
• Molecular Mass: 319.379841
• Monoisotopic Mass: 319.14898634
• SMILES: C[C@@H]([C@H](c1ccccc1)P(c1ccccc1)c1ccccc1)N
• Canonical SMILES: C[C@@H]([C@@H](P(c1ccccc1)c1ccccc1)c1ccccc1)N
• InChI: InChI=1S/C21H22NP/c1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,22H2,1H3/t17-,21+/m0/s1
• InChIKey: JWZAIGGNEGTDMG-LAUBAEHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,2S)-2-amino-1-phenylpropyl]diphenylphosphane
• IUPAC Traditional name: [(1S,2S)-2-amino-1-phenylpropyl]diphenylphosphane
• Synonyms: (S,S)-(+)-2-Amino-1-phenylpropyldiphenylphosphine; (1S,2S)-(2-Diphenylphosphino)-1-methyl-2-phenylethylamine; (1S,2S)-(2-Amino-1-phenylpropyl)diphenylphosphine; (1S,2S)-(2-二苯基膦)-1-甲基-2-苯乙胺; (1S,2S)-(2-氨基-1-苯丙基)二苯基膦

Database IDs

• CAS Number: 341968-71-6
• MDL Number: MFCD11044864
• PubChem SID: 162235557
• PubChem CID: 46176707

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5150652
• LogD (pH = 7.4): 2.3154292
• Log P: 4.9298
• Molar Refractivity: 98.5245 cm^3
• Polarizability: 39.40475 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-105 °C; 100-107°C
• Optical Rotation: [α]22/D +116°, c = 0.5 in chloroform; +140 (c=0.5 in chloroform)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 20-26-36/37/39-45-60; 26
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97+%
• Empirical Formula (Hill Notation): C21H22NP

DETAILS

Sigma Aldrich - 697583

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