3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 2-hydroxypropyl methyl ester, (R*,S*)-(+-)-

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 2-hydroxypropyl methyl ester, (R*,S*)-(+-)-
• CAS No.: 145594-64-5
• Molecular Formula: C19H22 N2 O7
• Molecular Weight: 390.3872
• DSSTox Substance ID: DTXSID70163111
• Wikidata: Q83031963
• Mol file: 145594-64-5.mol

Synonyms:2-hydroxypropylmethyl-1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate;M-1 (alpha);M-1 (beta)

Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 2-hydroxypropyl methyl ester, (R*,S*)-(+-)-

Chemical Property:

• Vapor Pressure: 6.82E-13mmHg at 25°C
• Boiling Point: 549.1°Cat760mmHg
• Flash Point: 285.9°C
• Density: 1.287g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 390.14270105
• Heavy Atom Count: 28
• Complexity: 708

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC(C)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
• Isomeric SMILES: CC1=C([C@@H](C(=C(N1)C)C(=O)OC[C@@H](C)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC