| CAS Number | 1239479-62-9 |
| Catalog Number | AG01C2UU |
| Chemical Name | 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H13N3.2ClH/c1-4(8)7-5(2)9-10-6(7)3;;/h4H,8H2,1-3H3,(H,9,10);2*1H |
| InChI Key | AUVXTOOOKPSVBA-UHFFFAOYSA-N |
| MDL Number | MFCD06800632 |
| Molecular Formula | C7H15Cl2N3 |
| Molecular Weight | 212.1201 |
| SMILES | Cl.Cl.CC(C1=C(C)NN=C1C)N |
| Synonyms | 1239479-62-9,
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine dihydrochloride,
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride,
936939-96-7,
[1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]aminedihydrochloride,
[1-(3,5-dimethyl-1h-pyrazol-4-yl)ethyl]amine dihydrochloride,
CTK6A4484,
AKOS015845230,
TR-043370,
Z2327883951,
[1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]amine di hydrochloride,
|
| Complexity | 115 |
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.118g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number