Methyl 5-[(dimethylamino)methyl]-1-methyl-1H-pyrazole-4-carboxylate - CAS 1883717-37-0
Catalog: |
BB050960 |
Product Name: |
Methyl 5-[(dimethylamino)methyl]-1-methyl-1H-pyrazole-4-carboxylate |
CAS: |
1883717-37-0 |
Synonyms: |
1H-Pyrazole-4-carboxylic acid, 5-[(dimethylamino)methyl]-1-methyl-, methyl ester |
IUPAC Name: | methyl 5-[(dimethylamino)methyl]-1-methylpyrazole-4-carboxylate |
Molecular Weight: | 197.23 |
Molecular Formula: | C9H15N3O2 |
Canonical SMILES: | CN1C(=C(C=N1)C(=O)OC)CN(C)C |
InChI: | InChI=1S/C9H15N3O2/c1-11(2)6-8-7(9(13)14-4)5-10-12(8)3/h5H,6H2,1-4H3 |
InChI Key: | JHQMBGAKJKELLP-UHFFFAOYSA-N |
Boiling Point: | 290.8±30.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.12±0.1 g/cm3 (Predicted) |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.11642673 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 47.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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