1-(4,6-Dimethylpyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]guanidine

Base Information

• Chemical Name: 1-(4,6-Dimethylpyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]guanidine
• CAS No.: 5803-86-1
• Molecular Formula: C14H14F3N5
• Molecular Weight: 309.2897
• DSSTox Substance ID: DTXSID20421314

Synonyms:5803-86-1;1-(4,6-dimethylpyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]guanidine;BAS 00916141;DTXSID20421314;XSCWWXRTVRDOFC-UHFFFAOYSA-N;MFCD01543003;STK064194;AKOS000620262;BIM-0034165.P001;AB00097558-01

Chemical Property of 1-(4,6-Dimethylpyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]guanidine

Chemical Property:

• Vapor Pressure: 6.47E-08mmHg at 25°C
• Boiling Point: 439.3°C at 760 mmHg
• Flash Point: 219.5°C
• Density: 1.35g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 309.12012995
• Heavy Atom Count: 22
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)N=C(N)NC2=CC=CC(=C2)C(F)(F)F)C
• Isomeric SMILES: CC1=CC(=NC(=N1)/N=C(/N)\NC2=CC=CC(=C2)C(F)(F)F)C

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