2-[3-(Difluoromethyl)-1H-pyrazol-1-yl]ethanamine hydrochloride - CAS 1855890-44-6
Catalog: |
BB050727 |
Product Name: |
2-[3-(Difluoromethyl)-1H-pyrazol-1-yl]ethanamine hydrochloride |
CAS: |
1855890-44-6 |
Synonyms: |
1H-Pyrazole-1-ethanamine, 3-(difluoromethyl)-, hydrochloride (1:1); {2-[3-(difluoromethyl)-1H-pyrazol-1-yl]ethyl}amine hydrochloride |
Related CAS: | 1823445-01-7 (free base) |
IUPAC Name: | 2-[3-(difluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride |
Molecular Weight: | 197.61 |
Molecular Formula: | C6H10ClF2N3 |
Canonical SMILES: | C1=CN(N=C1C(F)F)CCN.Cl |
InChI: | InChI=1S/C6H9F2N3.ClH/c7-6(8)5-1-3-11(10-5)4-2-9;/h1,3,6H,2,4,9H2;1H |
InChI Key: | WZGWTJLSBWWGSK-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0531313 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0531313 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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