| CAS Number | 1197620-46-4 |
| Catalog Number | AG019WVS |
| Chemical Name | Ethyl[(1-methyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride |
| IUPAC Name | N-[(1-methylpyrazol-4-yl)methyl]ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H13N3.2ClH/c1-3-8-4-7-5-9-10(2)6-7;;/h5-6,8H,3-4H2,1-2H3;2*1H |
| InChI Key | HWQYAVSHJPJSHC-UHFFFAOYSA-N |
| MDL Number | MFCD12913234 |
| Molecular Formula | C7H15Cl2N3 |
| Molecular Weight | 212.1201 |
| SMILES | Cl.Cl.CCNCC1=CN(C)N=C1 |
| Synonyms | ethyl[(1-methyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride,
1197620-46-4,
AC1Q3AAT,
CTK6F2406,
MCULE-3752720556,
NE17340,
EN300-53288,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.118g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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