2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone

Base Information

• Chemical Name: 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone
• CAS No.: 313492-86-3
• Molecular Formula: C9H13N3O
• Molecular Weight: 179.21900
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90390740
• Mol file: 313492-86-3.mol

Synonyms:2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone;313492-86-3;2-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one;2-((1H-1,2,4-Triazol-1-yl)methyl)cyclohexanone;DTXSID90390740;MFCD00515012;STK505845;AKOS001583983;AKOS016345624;BS-37780;CS-0327920;2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexan-1-one;2-((1H-1,2,4-triazol-1-yl)methyl)cyclohexan-1-one

Chemical Property of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone

Chemical Property:

• PSA: 47.78000
• LogP: 1.03740
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.105862047
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

98% ^*data from raw suppliers

2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)CN2C=NC=N2