2-(Phenylthio)benzenepropanoic acid 2-(dimethylamino)ethyl ester tartrate

Base Information

• Chemical Name: 2-(Phenylthio)benzenepropanoic acid 2-(dimethylamino)ethyl ester tartrate
• CAS No.: 101330-04-5
• Molecular Formula: C23H29NO8S
• Molecular Weight: 479.5433
• DSSTox Substance ID: DTXSID70906065

Synonyms:2-(Phenylthio)benzenepropanoic acid 2-(dimethylamino)ethyl ester tartrate;101330-04-5;Benzenepropanoic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, tartrate (1:1);DTXSID70906065;C19H23NO2S.C4H6O6;LS-31142;C19-H23-N-O2-S.C4-H6-O6;2,3-Dihydroxybutanedioic acid--2-(dimethylamino)ethyl 3-phenyl-2-(phenylsulfanyl)propanoate (1/1)

Chemical Property of 2-(Phenylthio)benzenepropanoic acid 2-(dimethylamino)ethyl ester tartrate

Chemical Property:

• Vapor Pressure: 1.57E-08mmHg at 25°C
• Boiling Point: 456.8°C at 760 mmHg
• Flash Point: 230.1°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 479.16138806
• Heavy Atom Count: 33
• Complexity: 470

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCOC(=O)C(CC1=CC=CC=C1)SC2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: CN(C)CCOC(=O)C(CC1=CC=CC=C1)SC2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

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