Methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate - CAS 64182-19-0
Catalog: |
BB052408 |
Product Name: |
Methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate |
CAS: |
64182-19-0 |
Synonyms: |
1H-Pyrazole-4-carboxylic acid, 3-amino-1-methyl-, methyl ester |
IUPAC Name: | methyl 3-amino-1-methylpyrazole-4-carboxylate |
Molecular Weight: | 155.15 |
Molecular Formula: | C6H9N3O2 |
Canonical SMILES: | CN1C=C(C(=N1)N)C(=O)OC |
InChI: | InChI=1S/C6H9N3O2/c1-9-3-4(5(7)8-9)6(10)11-2/h3H,1-2H3,(H2,7,8) |
InChI Key: | BQKHGDZEUNUQCP-UHFFFAOYSA-N |
Boiling Point: | 288.6±20.0 °C at 760 mmHg |
Purity: | 97% |
Density: | 1.4±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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