2-Methoxy-N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine hydrochloride - CAS 1855939-70-6
Catalog: |
BB050847 |
Product Name: |
2-Methoxy-N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine hydrochloride |
CAS: |
1855939-70-6 |
Synonyms: |
1H-Pyrazole-4-methanamine, N-(2-methoxyethyl)-1-methyl-, hydrochloride (1:1) |
Related CAS: | 1015845-60-9 (free base)
|
IUPAC Name: | 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride |
Molecular Weight: | 205.68 |
Molecular Formula: | C8H16ClN3O |
Canonical SMILES: | CN1C=C(C=N1)CNCCOC.Cl |
InChI: | InChI=1S/C8H15N3O.ClH/c1-11-7-8(6-10-11)5-9-3-4-12-2;/h6-7,9H,3-5H2,1-2H3;1H |
InChI Key: | BXJLDGXYXCZVNZ-UHFFFAOYSA-N |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0981898 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0981898 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 39.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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