(R)-(alpha-Cyano-4-methoxybenzyl)ammonium hydrogen (R-(R*,R*))-tartrate

Base Information

• Chemical Name: (R)-(alpha-Cyano-4-methoxybenzyl)ammonium hydrogen (R-(R*,R*))-tartrate
• CAS No.: 66116-55-0
• Molecular Formula: C13H16N2O7
• Molecular Weight: 312.2753
• European Community (EC) Number: 266-167-9
• DSSTox Substance ID: DTXSID70216318

Synonyms:EINECS 266-167-9;66116-55-0;(R)-(alpha-Cyano-4-methoxybenzyl)ammonium hydrogen (R-(R*,R*))-tartrate;C9H10N2O.C4H6O6;DTXSID70216318;C9-H10-N2-O.C4-H6-O6

Chemical Property of (R)-(alpha-Cyano-4-methoxybenzyl)ammonium hydrogen (R-(R*,R*))-tartrate

Chemical Property:

• Boiling Point: 290.3°Cat760mmHg
• Flash Point: 129.4°C
• PSA: 174.10000
• Density: g/cm³
• LogP: -0.20372
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 312.09575085
• Heavy Atom Count: 22
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C#N)[NH3+].C(C(C(=O)[O-])O)(C(=O)O)O
• Isomeric SMILES: COC1=CC=C(C=C1)[C@H](C#N)[NH3+].[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

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