1-(3-Trifluoromethyl-benzyl)-1H-[1,2,4]triazol-3-ylamine - CAS 832740-44-0
Catalog: |
BB045801 |
Product Name: |
1-(3-Trifluoromethyl-benzyl)-1H-[1,2,4]triazol-3-ylamine |
CAS: |
832740-44-0 |
Synonyms: |
1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine; 1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-amine |
IUPAC Name: | 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-amine |
Description: | 1-(3-Trifluoromethyl-benzyl)-1H-[1,2,4]triazol-3-ylamine (CAS# 832740-44-0 ) is a useful research chemical. |
Molecular Weight: | 242.2 |
Molecular Formula: | C10H9F3N4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC(=N2)N |
InChI: | InChI=1S/C10H9F3N4/c11-10(12,13)8-3-1-2-7(4-8)5-17-6-15-9(14)16-17/h1-4,6H,5H2,(H2,14,16) |
InChI Key: | WBDPGPNOCGVXGX-UHFFFAOYSA-N |
Boiling Point: | 376.0±52.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.07793079 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.07793079 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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