(R)-(Cyano(phenyl)methyl)ammonium hydrogen (R-(R*,R*))-tartrate

Base Information

• Chemical Name: (R)-(Cyano(phenyl)methyl)ammonium hydrogen (R-(R*,R*))-tartrate
• CAS No.: 66116-54-9
• Molecular Formula: C12H14N2O6
• Molecular Weight: 282.24936
• European Community (EC) Number: 266-166-3
• DSSTox Substance ID: DTXSID10216317
• Mol file: 66116-54-9.mol

Synonyms:66116-54-9;EINECS 266-166-3;(R)-(Cyano(phenyl)methyl)ammonium hydrogen (R-(R*,R*))-tartrate;C8H8N2.C4H6O6;DTXSID10216317;C8-H8-N2.C4-H6-O6

Chemical Property of (R)-(Cyano(phenyl)methyl)ammonium hydrogen (R-(R*,R*))-tartrate

Chemical Property:

• Vapor Pressure: 0.0491mmHg at 25°C
• Boiling Point: 235.8°C at 760 mmHg
• Flash Point: 96.4°C
• PSA: 164.87000
• LogP: -0.21232
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 282.08518617
• Heavy Atom Count: 20
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C#N)[NH3+].C(C(C(=O)[O-])O)(C(=O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](C#N)[NH3+].[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O