CID 13181220

Base Information

• Chemical Name: CID 13181220
• CAS No.: 88461-81-8
• Molecular Formula: C27H29ClN2O5S
• Molecular Weight: 529.0476
• DSSTox Substance ID: DTXSID401008160

Synonyms:88461-81-8;DTXSID401008160;ethyl 2-[(benzylamino)methyl]-1-methyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate;hydrochloride;Ethyl 2-[(benzylamino)methyl]-1-methyl-5-[(4-methylbenzene-1-sulfonyl)oxy]-1H-indole-3-carboxylate--hydrogen chloride (1/1);ethyl 2-[(benzylamino)methyl]-1-methyl-5-{[(4-methylphenyl)sulfonyl]oxy}-1H-indole-3-carboxylate hydrochloride

Chemical Property of CID 13181220

Chemical Property:

• Vapor Pressure: 3.26E-18mmHg at 25°C
• Boiling Point: 677.5°Cat760mmHg
• Flash Point: 363.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 528.1485709
• Heavy Atom Count: 36
• Complexity: 786

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)CNCC4=CC=CC=C4.Cl

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