| CAS Number | 1181457-75-9 |
| Catalog Number | AG019V6W |
| Chemical Name | 1-[(4-methylphenyl)methyl]-1H-pyrazol-5-amine dihydrochloride |
| IUPAC Name | 2-[(4-methylphenyl)methyl]pyrazol-3-amine;dihydrochloride |
| InChI | InChI=1S/C11H13N3.2ClH/c1-9-2-4-10(5-3-9)8-14-11(12)6-7-13-14;;/h2-7H,8,12H2,1H3;2*1H |
| InChI Key | PHQVHGVCNRHPFZ-UHFFFAOYSA-N |
| MDL Number | MFCD12197045 |
| Molecular Formula | C11H15Cl2N3 |
| Molecular Weight | 260.1629 |
| SMILES | Cl.Cl.CC1=CC=C(CN2C(N)=CC=N2)C=C1 |
| Synonyms | 1-[(4-methylphenyl)methyl]-1H-pyrazol-5-amine dihydrochloride,
1181457-75-9,
AC1Q3A7U,
CTK6B8335,
NE15476,
EN300-43926,
|
| Complexity | 175 |
| 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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