4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;(1R)-1-phenylethanamine

Base Information

• Chemical Name: 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;(1R)-1-phenylethanamine
• CAS No.: 161692-97-3
• Molecular Formula: C25H25F2NO3
• Molecular Weight: 425.4677064
• DSSTox Substance ID: DTXSID10936583
• Mol file: 161692-97-3.mol

Synonyms:161692-97-3;4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;(1R)-1-phenylethanamine;4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoic acid, (1R)-1- phenylethanamine;(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, (+-)-, salt with (R)-(+)-alpha-methylbenzenemethanamine (1:1);DTXSID10936583;WNZNWMDUCQZVQV-HMZWWLAASA-N;C17H13F2O3.C8H11N;LS-44181;C17-H13-F2-O3.C8-H11-N;4-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid--1-phenylethan-1-amine (1/1)

Chemical Property of 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;(1R)-1-phenylethanamine

Chemical Property:

• Vapor Pressure: 4E-09mmHg at 25°C
• Boiling Point: 456.5°Cat760mmHg
• Flash Point: 229.9°C
• PSA: 80.39000
• Density: g/cm³
• LogP: 6.33190
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 425.18024998
• Heavy Atom Count: 31
• Complexity: 479

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)O.CC(C1=CC=CC=C1)N
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)N.CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)O