2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride - CAS 1431962-30-9
Catalog: |
BB051983 |
Product Name: |
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride |
CAS: |
1431962-30-9 |
Synonyms: |
[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine dihydrochloride |
IUPAC Name: | 2-(1-methylpyrazol-4-yl)ethanamine;dihydrochloride |
Molecular Weight: | 198.09 |
Molecular Formula: | C6H13Cl2N3 |
Canonical SMILES: | CN1C=C(C=N1)CCN.Cl.Cl |
InChI: | InChI=1S/C6H11N3.2ClH/c1-9-5-6(2-3-7)4-8-9;;/h4-5H,2-3,7H2,1H3;2*1H |
InChI Key: | YNSWHCYQDWIUEW-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: | 84.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0486528 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0486528 |
Rotatable Bond Count: | 2 |
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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