[1-(Propan-2-yl)-1H-pyrazol-3-yl]methanamine - CAS 1007515-32-3
Catalog: |
BB052018 |
Product Name: |
[1-(Propan-2-yl)-1H-pyrazol-3-yl]methanamine |
CAS: |
1007515-32-3 |
Synonyms: |
1-(1-isopropyl-1H-pyrazol-3-yl)methanamine; [1-(methylethyl)pyrazol-3-yl]methylamine |
IUPAC Name: | (1-propan-2-ylpyrazol-3-yl)methanamine |
Molecular Weight: | 139.20 |
Molecular Formula: | C7H13N3 |
Canonical SMILES: | CC(C)N1C=CC(=N1)CN |
InChI: | InChI=1S/C7H13N3/c1-6(2)10-4-3-7(5-8)9-10/h3-4,6H,5,8H2,1-2H3 |
InChI Key: | DWVZJJWBGYDTEZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.110947427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Amines and Anilines
Pyrazoles
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