N,N-diethylethanamine;4-[(4E)-3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid

Base Information

• Chemical Name: N,N-diethylethanamine;4-[(4E)-3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid
• CAS No.: 62609-93-2
• Molecular Formula: C25H37N3O4S
• Molecular Weight: 475.644
• DSSTox Substance ID: DTXSID1069588

Synonyms:62609-93-2;C19H22N2O4S.C6H15N;C19-H22-N2-O4-S.C6-H15-N;DTXSID1069588

Chemical Property of N,N-diethylethanamine;4-[(4E)-3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 475.25047784
• Heavy Atom Count: 33
• Complexity: 833

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC.CC1=CC(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)CC(C1)(C)C
• Isomeric SMILES: CCN(CC)CC.CC1=C/C(=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)/CC(C1)(C)C

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