N-Methylglucamine acetylsalicylate

Base Information

• Chemical Name: N-Methylglucamine acetylsalicylate
• CAS No.: 63058-04-8
• Molecular Formula: C16H25NO9
• Molecular Weight: 375.371
• DSSTox Substance ID: DTXSID80212381
• Mol file: 63058-04-8.mol

Synonyms:N-Methylglucamine acetylsalicylate;Acetyl salicylate de N-methylglucamine [French];F 1832;D-Glucitol, 1-deoxy-1-(methylamino)-, 2-(acetyloxy)benzoate (salt);Acetyl salicylate de N-methylglucamine;1-Deoxy-1-(methylamino)-D-glucitol 2-(acetyloxy)benzoate (salt);63058-04-8;C9H8O4.C7H17NO5;SCHEMBL10648794;DTXSID80212381;C9-H8-O4.C7-H17-N-O5;LS-71348

Chemical Property of N-Methylglucamine acetylsalicylate

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Boiling Point: 490.4°Cat760mmHg
• Flash Point: 251.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 375.15293138
• Heavy Atom Count: 26
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.CNCC(C(C(C(CO)O)O)O)O
• Isomeric SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O