Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester

Base Information

• Chemical Name: Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester
• CAS No.: 240423-53-4
• Molecular Formula: C27H31 N O4 S
• Molecular Weight: 465.6
• DSSTox Substance ID: DTXSID30447888
• Nikkaji Number: J1.170.400J
• Wikidata: Q82266788
• Mol file: 240423-53-4.mol

Synonyms:240423-53-4;Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester;(1S,2R)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl acetate;[(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] acetate;(1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Acetate;DTXSID30447888;MFCD02093425;AKOS025294973;T70620;J-015329;(1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)-O-acetylnorephedrine;Acetic acid (1S,2R)-1-phenyl-2-[benzyl(mesitylsulfonyl)amino]propyl ester;(1S,2R)-2-[Benzyl(2,4,6-trimethylbenzene-1-sulfonyl)amino]-1-phenylpropyl acetate

Chemical Property of Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 121 °C
• Refractive Index: 1.583
• Boiling Point: 605.617°C at 760 mmHg
• PKA: -7.02±0.70(Predicted)
• Flash Point: 320.066°C
• PSA: 72.06000
• Density: 1.176g/cm³
• LogP: 6.57640
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 465.19737964
• Heavy Atom Count: 33
• Complexity: 709

Purity/Quality:

98%,99%, ^*data from raw suppliers

AceticAcid(1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)OC(=O)C)C
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)[C@H](C)[C@H](C3=CC=CC=C3)OC(=O)C)C