| CAS Number | 1257796-47-6 |
| Catalog Number | AG00J3FQ |
| Chemical Name | (3,5-dimethyl-1H-pyrazol-4-yl)methanamine dihydrochloride |
| IUPAC Name | (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c1-4-6(3-7)5(2)9-8-4;;/h3,7H2,1-2H3,(H,8,9);2*1H |
| InChI Key | LPMQZRJFDBYDEM-UHFFFAOYSA-N |
| MDL Number | MFCD06800635 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | C1(CN)C(C)=NNC=1C.Cl.Cl |
| Synonyms | [(3,5-dimethyl-1h-pyrazol-4-yl)methyl]amine dihydrochloride,
1257796-47-6,
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine dihydrochloride,
(3,5-dimethyl-1H-pyrazol-4-yl)methylamine dihydrochloride,
ZX-AV000668,
ZX-CM014623,
MFCD06800635,
AKOS015845285,
RTR-032377,
TR-032377,
I05-1646,
4110858-25G,
4110858-50G,
4110858-100G,
1-(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine dihydrochloride, AldrichCPR,
518064-16-9,
|
| Complexity | 94.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.091g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number