| CAS Number | 1311313-93-5 |
| Catalog Number | AG01AHQV(AGN-PC-0WOWG5) |
| Chemical Name | 1-(azetidin-3-yl)-4-methyl-1H-pyrazole dihydrochloride |
| IUPAC Name | 1-(azetidin-3-yl)-4-methylpyrazole;dihydrochloride |
| InChI | InChI=1S/C7H11N3.2ClH/c1-6-2-9-10(5-6)7-3-8-4-7;;/h2,5,7-8H,3-4H2,1H3;2*1H |
| InChI Key | CMFUZVPPDGMPNC-UHFFFAOYSA-N |
| MDL Number | MFCD18785568 |
| Molecular Formula | C7H13Cl2N3 |
| Molecular Weight | 210.1042 |
| SMILES | Cl.Cl.CC1=CN(C2CNC2)N=C1 |
| Synonyms | 1-(azetidin-3-yl)-4-methyl-1H-pyrazole dihydrochloride,
EN300-75523,
1311313-93-5,
AKOS026745169,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.102g/mol |
| Monoisotopic Mass | 209.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number