2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanamine - CAS 1392274-36-0
Catalog: |
BB051454 |
Product Name: |
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanamine |
CAS: |
1392274-36-0 |
Synonyms: |
1H-Pyrazole-1-ethanamine, 3-methyl-5-(trifluoromethyl)-; 2-(3-Methyl-5-trifluoromethyl-pyrazol-1-yl)-ethylamine |
IUPAC Name: | 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanamine |
Molecular Weight: | 193.17 |
Molecular Formula: | C7H10F3N3 |
Canonical SMILES: | CC1=NN(C(=C1)C(F)(F)F)CCN |
InChI: | InChI=1S/C7H10F3N3/c1-5-4-6(7(8,9)10)13(12-5)3-2-11/h4H,2-3,11H2,1H3 |
InChI Key: | YXOSRXORMMORGF-UHFFFAOYSA-N |
Boiling Point: | 226.6±40.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.08268182 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.08268182 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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