| CAS Number | 2031261-15-9 |
| Catalog Number | AG01B78H |
| Chemical Name | 4-[(azetidin-3-yl)methyl]-1-methyl-1H-pyrazole dihydrochloride |
| IUPAC Name | 4-(azetidin-3-ylmethyl)-1-methylpyrazole;dihydrochloride |
| InChI | InChI=1S/C8H13N3.2ClH/c1-11-6-8(5-10-11)2-7-3-9-4-7;;/h5-7,9H,2-4H2,1H3;2*1H |
| InChI Key | LMKHUTVUQNJAJK-UHFFFAOYSA-N |
| MDL Number | MFCD30345186 |
| Molecular Formula | C8H15Cl2N3 |
| Molecular Weight | 224.1308 |
| SMILES | Cl.Cl.CN1N=CC(CC2CNC2)=C1 |
| Synonyms | 4-[(azetidin-3-yl)methyl]-1-methyl-1H-pyrazole dihydrochloride,
2031261-15-9,
Z2588063521,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.129g/mol |
| Monoisotopic Mass | 223.064g/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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