3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine hydrochloride - CAS 1431966-31-2
Catalog: |
BB053015 |
Product Name: |
3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine hydrochloride |
CAS: |
1431966-31-2 |
Synonyms: |
3,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine hydrochloride |
IUPAC Name: | 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride |
Molecular Weight: | 229.63 |
Molecular Formula: | C7H11ClF3N3 |
Canonical SMILES: | CC1=C(C(=NN1CC(F)(F)F)C)N.Cl |
InChI: | InChI=1S/C7H10F3N3.ClH/c1-4-6(11)5(2)13(12-4)3-7(8,9)10;/h3,11H2,1-2H3;1H |
InChI Key: | MXXOATVFAMXFOC-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0593595 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0593595 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Amines and Anilines
Halides
Pyrazoles
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