5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one

Base Information

• Chemical Name: 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one
• CAS No.: 91990-66-8
• Molecular Formula: C16H30 N2 O
• Molecular Weight: 266.4222
• European Community (EC) Number: 295-249-7
• DSSTox Substance ID: DTXSID30919414
• Nikkaji Number: J318.988K
• Mol file: 91990-66-8.mol

Synonyms:5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one;91990-66-8;EINECS 295-249-7;3-Heptyl-4-hexyl-1H-pyrazol-5(4H)-one;SCHEMBL10455656;C16H30N2O;DTXSID30919414;5-Heptyl-4-hexyl-4H-pyrazol-3-ol;C16-H30-N2-O

Chemical Property of 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 44.95000
• Density: 0.99g/cm³
• LogP: 4.13080
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 266.235813585
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=NNC(=O)C1CCCCCC

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