| CAS Number | 1803590-35-3 |
| Catalog Number | AG01BFEQ(AGN-PC-0WOSNG) |
| Chemical Name | [(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine dihydrochloride |
| IUPAC Name | 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride |
| InChI | InChI=1S/C7H12ClN3.2ClH/c1-5-6(4-9-2)7(8)11(3)10-5;;/h9H,4H2,1-3H3;2*1H |
| InChI Key | WBVLROTUJCZCPI-UHFFFAOYSA-N |
| MDL Number | MFCD28118564 |
| Molecular Formula | C7H14Cl3N3 |
| Molecular Weight | 246.5652 |
| SMILES | Cl.Cl.CNCC1=C(Cl)N(C)N=C1C |
| Synonyms | [(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine dihydrochloride,
1803590-35-3,
AKOS026742576,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.56g/mol |
| Monoisotopic Mass | 245.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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