| CAS Number | 1306605-22-0 |
| Catalog Number | AG01AI20(AGN-PC-0WOTU3) |
| Chemical Name | methyl[(1H-pyrazol-4-yl)methyl]amine dihydrochloride |
| IUPAC Name | N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C5H9N3.2ClH/c1-6-2-5-3-7-8-4-5;;/h3-4,6H,2H2,1H3,(H,7,8);2*1H |
| InChI Key | UUTGTUOJRWYRFB-UHFFFAOYSA-N |
| MDL Number | MFCD18838795 |
| Molecular Formula | C5H11Cl2N3 |
| Molecular Weight | 184.0669 |
| SMILES | Cl.Cl.CNCC1=CNN=C1 |
| Synonyms | methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride,
1306605-22-0,
AKOS008146675,
MCULE-7733307968,
NE58976,
EN300-76498,
|
| Complexity | 64.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.064g/mol |
| Monoisotopic Mass | 183.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number