Bis[[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol)-4-yl]methylamino]methanesulfonic acid]calcium salt

Base Information

• Chemical Name: Bis[[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol)-4-yl]methylamino]methanesulfonic acid]calcium salt
• CAS No.: 51996-59-9
• Molecular Formula: C13H17 N3 O4 S . 1/2 Ca
• Molecular Weight: 660.77568
• DSSTox Substance ID: DTXSID30199951
• Nikkaji Number: J279.418G
• Mol file: 51996-59-9.mol

Synonyms:DTXSID30199951

Chemical Property of Bis[[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol)-4-yl]methylamino]methanesulfonic acid]calcium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 209.08000
• Density: g/cm³
• LogP: 3.09680
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 660.1348952
• Heavy Atom Count: 43
• Complexity: 519

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].[Ca+2]