1,2-Dihydro-4-(isopropylamino)-1,5-dimethyl-3-oxo-2-phenyl-3H-pyrazolium hydrogen (R-(R*,R*))-tartrate

Base Information

• Chemical Name: 1,2-Dihydro-4-(isopropylamino)-1,5-dimethyl-3-oxo-2-phenyl-3H-pyrazolium hydrogen (R-(R*,R*))-tartrate
• CAS No.: 64906-00-9
• Molecular Formula: C18H25N3O7
• Molecular Weight: 395.407
• European Community (EC) Number: 265-269-0
• DSSTox Substance ID: DTXSID40983489
• Mol file: 64906-00-9.mol

Synonyms:EINECS 265-269-0;64906-00-9;1,2-Dihydro-4-(isopropylamino)-1,5-dimethyl-3-oxo-2-phenyl-3H-pyrazolium hydrogen (R-(R*,R*))-tartrate;DTXSID40983489;C14H19N3O.C4H6O6;C14-H19-N3-O.C4-H6-O6;2,3-Dimethyl-5-oxo-1-phenyl-4-[(propan-2-yl)amino]-4,5-dihydro-1H-pyrazol-2-ium 3-carboxy-2,3-dihydroxypropanoate

Chemical Property of 1,2-Dihydro-4-(isopropylamino)-1,5-dimethyl-3-oxo-2-phenyl-3H-pyrazolium hydrogen (R-(R*,R*))-tartrate

Chemical Property:

• PSA: 153.24000
• LogP: -1.62460
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 395.16925015
• Heavy Atom Count: 28
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](N(C(=O)C1NC(C)C)C2=CC=CC=C2)C.C(C(C(=O)[O-])O)(C(=O)O)O
• Isomeric SMILES: CC1=[N+](N(C(=O)C1NC(C)C)C2=CC=CC=C2)C.[C@@H](C(C(=O)O)O)(C(=O)[O-])O

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