(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoic acid
• CAS No.: 270062-94-7
• Molecular Formula: C26H25NO4
• Molecular Weight: 415.48
• DSSTox Substance ID: DTXSID401139046
• Mol file: 270062-94-7.mol

Synonyms:270062-94-7;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoic acid;Fmoc-(S)-3-Amino-4-(3-methyl-phenyl)-butyric acid;Fmoc-(S)-3-amino-4-(3-methylphenyl)-butyric acid;Fmoc-(S)-3-Amino-4-(3-methylphenyl)butyric acid;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylphenyl)butanoic acid;Fmoc-3-methyl-L-beta-homophenylalanine;SCHEMBL118243;DTXSID401139046;MFCD01861024;AKOS015948876;CS-W011661;FD10102;AC-22232;AS-48808;A877068;(S)-Fmoc-3-methyl-beta-Homophe-OH, >=98.0% (HPLC);(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-m-tolylbutanoic acid;(betaS)-beta-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoicacid;(S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(3-methylphenyl)butyric acid

Chemical Property of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoic acid

Chemical Property:

• Vapor Pressure: 2.39E-17mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 641.75 °C at 760 mmHg
• PKA: 4.40±0.10(Predicted)
• Flash Point: 341.918 °C
• PSA: 75.63000
• Density: 1.236 g/cm³
• LogP: 5.31040
• Storage Temp.: 2-8°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 415.17835828
• Heavy Atom Count: 31
• Complexity: 601

Purity/Quality:

98%min ^*data from raw suppliers

Fmoc-3-methyl-L-beta-homophenylalanine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CC(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Isomeric SMILES: CC1=CC(=CC=C1)C[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24