(S)-3-((tert-butoxycarbonyl)amino)-4-(4-iodophenyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((tert-butoxycarbonyl)amino)-4-(4-iodophenyl)butanoic acid
• CAS No.: 270065-71-9
• Molecular Formula: C15H20INO4
• Molecular Weight: 405.23
• DSSTox Substance ID: DTXSID901152378
• Mol file: 270065-71-9.mol

Synonyms:270065-71-9;(S)-3-((tert-butoxycarbonyl)amino)-4-(4-iodophenyl)butanoic acid;Boc-(S)-3-amino-4-(4-iodo-phenyl)-butyric acid;(3S)-4-(4-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid;Boc-(S)-3-amino-4-(4-iodophenyl)-butyric acid;Boc-(S)-3-Amino-4-(4-iodophenyl)butanoic acid;Boc-(S)-3-Amino-4-(4-iodophenyl)butyric acid;Boc-4-iodo-L-beta-homophenylalanine;(S)-4-Iodo-b-(Boc-amino)benzenebutanoic acid;DTXSID901152378;MFCD01861061;AKOS015948867;AC-22218;PS-12277;CS-0154496;(S)-3-((tert-butoxycarbonyl)amino)-4-(4-iodophenyl)butanoicacid;(S)-3-(tert-butoxycarbonylamino)-4-(4-iodophenyl)butanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-iodophenyl)butanoic acid;(betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid

Chemical Property of (S)-3-((tert-butoxycarbonyl)amino)-4-(4-iodophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 1.67E-10mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 492.2 °C at 760 mmHg
• PKA: 4.40±0.10(Predicted)
• Flash Point: 251.5 °C
• PSA: 75.63000
• Density: 1.516 g/cm³
• LogP: 3.59260
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 405.04371
• Heavy Atom Count: 21
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

Boc-4-iodo-L-beta-homophenylalanine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)I)CC(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)I)CC(=O)O