| CAS Number | 1052544-71-4 |
| Catalog Number | AG019OUC |
| Chemical Name | 1-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-5-amine hydrochloride |
| IUPAC Name | 2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C12H15N3O2.ClH/c1-16-10-5-3-4-9(12(10)17-2)8-15-11(13)6-7-14-15;/h3-7H,8,13H2,1-2H3;1H |
| InChI Key | PDLZZUHZBHDXJH-UHFFFAOYSA-N |
| MDL Number | MFCD07687284 |
| Molecular Formula | C12H16ClN3O2 |
| Molecular Weight | 269.7273 |
| SMILES | Cl.COC1=C(OC)C(CN2C(N)=CC=N2)=CC=C1 |
| Synonyms | 1-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-5-amine hydrochloride,
1052544-71-4,
1-(2,3-dimethoxybenzyl)-1H-pyrazol-5-amine hydrochloride,
AC1Q3C01,
CTK6J4686,
MCULE-8934805118,
NE13689,
EN300-15272,
Z126932662,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.729g/mol |
| Monoisotopic Mass | 269.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number