| CAS Number | 423176-42-5 |
| Catalog Number | AG00CVGC(AGN-PC-0WB2L0) |
| Chemical Name | 3,5-Dimethyl-4-[2-(methylamino)ethyl]-1h-pyrazole DiHCl |
| IUPAC Name | 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;dihydrochloride |
| InChI | InChI=1S/C8H15N3.2ClH/c1-6-8(4-5-9-3)7(2)11-10-6;;/h9H,4-5H2,1-3H3,(H,10,11);2*1H |
| InChI Key | FMCSRXYYMNSSMR-UHFFFAOYSA-N |
| MDL Number | MFCD07366477 |
| Molecular Formula | C8H17Cl2N3 |
| Molecular Weight | 226.1467 |
| SMILES | N1=C(C)C(=C(C)N1)CCNC.Cl.Cl |
| Synonyms | 423176-42-5,
3,5-Dimethyl-4-[2-(methylamino)ethyl]-1H-pyrazole dihydrochloride,
[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amine dihydrochloride,
2-(3,5-Dimethyl-1H-pyrazol-4-yl)-N-methylethanamine dihydrochloride,
CTK6I5573,
KS-00002AT5,
ZX-AT002581,
ZX-CM011158,
MFCD07366477,
OR7084,
AKOS026675599,
PS-7768,
K-8798,
3,5-Dimethyl-4-[2-(methylamino)ethyl]-1h-pyrazole DiHCl,
[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]methylamine dihydrochloride,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.145g/mol |
| Monoisotopic Mass | 225.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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