| CAS Number | 2138117-78-7 |
| Catalog Number | AG01EJBH |
| Chemical Name | [2-methyl-4-(1H-pyrazol-1-yl)phenyl]methanamine dihydrochloride |
| IUPAC Name | (2-methyl-4-pyrazol-1-ylphenyl)methanamine;dihydrochloride |
| InChI | InChI=1S/C11H13N3.2ClH/c1-9-7-11(4-3-10(9)8-12)14-6-2-5-13-14;;/h2-7H,8,12H2,1H3;2*1H |
| InChI Key | AWCFGPRLHHKJTE-UHFFFAOYSA-N |
| MDL Number | MFCD31559228 |
| Molecular Formula | C11H15Cl2N3 |
| Molecular Weight | 260.1629 |
| SMILES | Cl.Cl.CC1=C(CN)C=CC(N2N=CC=C2)=C1 |
| Synonyms | [2-methyl-4-(1H-pyrazol-1-yl)phenyl]methanamine dihydrochloride,
2138117-78-7,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.162g/mol |
| Monoisotopic Mass | 259.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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