[(2S)-2-amino-3-methylbutyl]diphenylphosphane

• ChemBase ID: 301787
• Molecular Formular: C17H22NP
• Molecular Mass: 271.337041
• Monoisotopic Mass: 271.14898634
• SMILES: CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)N
• Canonical SMILES: N[C@@H](C(C)C)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H22NP/c1-14(2)17(18)13-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,18H2,1-2H3/t17-/m1/s1
• InChIKey: ZZLCXURCZWQECA-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-2-amino-3-methylbutyl]diphenylphosphane
• IUPAC Traditional name: [(2S)-2-amino-3-methylbutyl]diphenylphosphane
• Synonyms: (S)-1-(Diphenylphosphino)-3-methyl-2-butylamine; (S)-2-Amino-1-diphenylphosphino-3-methylbutane

Database IDs

• CAS Number: 146476-37-1
• MDL Number: MFCD17013993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5575618
• LogD (pH = 7.4): 1.0918643
• Log P: 3.9892
• Molar Refractivity: 83.2651 cm^3
• Polarizability: 33.45793 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: 1.050
• Refractive Index: 1.5970

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+%