CID 12359079

Base Information

• Chemical Name: CID 12359079
• CAS No.: 60-41-3
• Molecular Formula: C21H22N2O2•1/2H2O4S
• Molecular Weight: 766.915
• European Community (EC) Number: 200-477-7
• UN Number: 1692
• ChEMBL ID: CHEMBL486399
• ICSC Number: 0327
• Mol file: 60-41-3.mol

Synonyms:60-41-3;SCHEMBL235087;CHEMBL486399;NS00078969

Chemical Property of CID 12359079

Chemical Property:

• Vapor Pressure: 1.44E-12mmHg at 25°C
• Melting Point: 284-286 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 559.9oC at 760 mmHg
• PKA: 8.26(at 25℃)
• Flash Point: 292.4oC
• PSA: 148.54000
• Density: 1.0926 (rough estimate)
• LogP: 4.61880
• Solubility.: chloroform: clear to hazy
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 432.13550766
• Heavy Atom Count: 30
• Complexity: 771
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

Strychnine hemisulfate salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,N
• Hazard Codes: T+,N
• Statements: 27/28-50/53-26/28
• Safety Statements: 36/37-45-60-61-28-13

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75.OS(=O)(=O)O
• Isomeric SMILES: C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75.OS(=O)(=O)O
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance may cause effects on the central nervous system. This may result in muscle contractions, convulsions and respiratory failure. Exposure could cause death.
• Uses: Chiefly in poison baits for rodents.

Refernces