5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine

Base Information

• Chemical Name: 5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine
• CAS No.: 502685-54-3
• Molecular Formula: C9H16N4
• Molecular Weight: 180.25
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID701254396
• Mol file: 502685-54-3.mol

Synonyms:5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine;502685-54-3;5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-amine;DTXSID701254396;HMS1697I03;AKOS000568970;AKOS010529872;BB 0260063;3-(Cyclohexylmethyl)-1H-1,2,4-triazol-5-amine

Chemical Property of 5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine

Chemical Property:

• Boiling Point: 396.4±25.0 °C(Predicted)
• PKA: 11.65±0.40(Predicted)
• PSA: 67.59000
• Density: 1.187±0.06 g/cm3(Predicted)
• LogP: 2.09090
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.137496527
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CC2=NC(=NN2)N