| CAS Number | 1221722-47-9 |
| Catalog Number | AG01A811 |
| Chemical Name | 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzene-1-carboximidamide dihydrochloride |
| IUPAC Name | 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzenecarboximidamide;dihydrochloride |
| InChI | InChI=1S/C13H16N4.2ClH/c1-9-7-10(2)17(16-9)8-11-3-5-12(6-4-11)13(14)15;;/h3-7H,8H2,1-2H3,(H3,14,15);2*1H |
| InChI Key | IMVVPXYPKQWEKU-UHFFFAOYSA-N |
| MDL Number | MFCD14705832 |
| Molecular Formula | C13H18Cl2N4 |
| Molecular Weight | 301.2148 |
| SMILES | Cl.Cl.CC1=NN(CC2=CC=C(C(N)=N)C=C2)C(C)=C1 |
| Synonyms | 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzene-1-carboximidamide dihydrochloride,
1221722-47-9,
EN300-60393,
AC1Q3A7I,
CTK6C4585,
AKOS008107917,
MCULE-1397381057,
NE41226,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.215g/mol |
| Monoisotopic Mass | 300.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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