1-[1-(2,2-Difluoroethyl)-1H-pyrazol-5-yl]-N-methylmethanamine hydrochloride - CAS 1855906-85-2
Catalog: |
BB050713 |
Product Name: |
1-[1-(2,2-Difluoroethyl)-1H-pyrazol-5-yl]-N-methylmethanamine hydrochloride |
CAS: |
1855906-85-2 |
Synonyms: |
1H-Pyrazole-5-methanamine, 1-(2,2-difluoroethyl)-N-methyl-, hydrochloride (1:1); {[1-(2,2-difluoroethyl)-1H-pyrazol-5-yl]methyl}methylamine hydrochloride |
Related CAS: | 1345510-71-5 (free base)
|
IUPAC Name: | 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride |
Molecular Weight: | 211.64 |
Molecular Formula: | C7H12ClF2N3 |
Canonical SMILES: | CNCC1=CC=NN1CC(F)F.Cl |
InChI: | InChI=1S/C7H11F2N3.ClH/c1-10-4-6-2-3-11-12(6)5-7(8)9;/h2-3,7,10H,4-5H2,1H3;1H |
InChI Key: | JMJFNKJGQLUORY-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.09210369 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.09210369 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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