[(2S)-2-amino-3,3-dimethylbutyl]diphenylphosphane

• ChemBase ID: 301375
• Molecular Formular: C18H24NP
• Molecular Mass: 285.363621
• Monoisotopic Mass: 285.1646364
• SMILES: CC(C)(C)[C@@H](CP(c1ccccc1)c1ccccc1)N
• Canonical SMILES: N[C@@H](C(C)(C)C)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H24NP/c1-18(2,3)17(19)14-20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14,19H2,1-3H3/t17-/m1/s1
• InChIKey: SGBNMEAXYLJQRV-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-2-amino-3,3-dimethylbutyl]diphenylphosphane
• IUPAC Traditional name: [(2S)-2-amino-3,3-dimethylbutyl]diphenylphosphane
• Synonyms: (S)-1-(Diphenylphosphino)-3,3-dimethyl-2-butylamine; (S)-2-Amino-1-diphenylphosphino-3,3-dimethylbutane

Database IDs

• CAS Number: 286454-86-2
• MDL Number: MFCD17013995

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0752063
• LogD (pH = 7.4): 1.8165586
• Log P: 4.4947
• Molar Refractivity: 87.6632 cm^3
• Polarizability: 35.30495 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110°C(230°F)
• Density: 1.024
• Refractive Index: 1.5900

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-23-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501

Product Information

• Purity: 97+%