[1-(2-Fluoroethyl)-1H-pyrazol-5-yl]methanamine hydrochloride - CAS 1855911-20-4
Catalog: |
BB050632 |
Product Name: |
[1-(2-Fluoroethyl)-1H-pyrazol-5-yl]methanamine hydrochloride |
CAS: |
1855911-20-4 |
Synonyms: |
1-[1-(2-Fluoroethyl)-1H-pyrazol-5-yl]methanamine hydrochloride; 1H-Pyrazole-5-methanamine, 1-(2-fluoroethyl)-, hydrochloride (1:1) |
Related CAS: | 1429417-85-5 (free base)
|
IUPAC Name: | [2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride |
Molecular Weight: | 179.62 |
Molecular Formula: | C6H11ClFN3 |
Canonical SMILES: | C1=C(N(N=C1)CCF)CN.Cl |
InChI: | InChI=1S/C6H10FN3.ClH/c7-2-4-10-6(5-8)1-3-9-10;/h1,3H,2,4-5,8H2;1H |
InChI Key: | CPRKNVIURWOLHV-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 99 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0625532 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0625532 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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