| CAS Number | 1185304-68-0 |
| Catalog Number | AG00J3FR(AGN-PC-0WBUHZ) |
| Chemical Name | [2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]amine dihydrochloride |
| IUPAC Name | 2-(3,5-dimethylpyrazol-1-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H13N3.2ClH/c1-6-5-7(2)10(9-6)4-3-8;;/h5H,3-4,8H2,1-2H3;2*1H |
| InChI Key | IPLZURLMJRCZAO-UHFFFAOYSA-N |
| MDL Number | MFCD09266606 |
| Molecular Formula | C7H15Cl2N3 |
| Molecular Weight | 212.1201 |
| SMILES | Cl.Cl.CC1=NN(C(=C1)C)CCN |
| Synonyms | [2-(3,5-dimethyl-1h-pyrazol-1-yl)ethyl]amine dihydrochloride,
1185304-68-0,
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine dihydrochloride,
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethanamine dihydrochloride,
CTK7E8727,
MFCD06800633,
AKOS015845169,
MCULE-2827516164,
NS-02389,
TR-043437,
Z-1670,
[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]aminedihydrochloride,
[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]amine di hydrochloride,
2-(3,5-dimethylpyrazol-1-yl)ethanamine;dihydrochloride,
N/A,
|
| Complexity | 105 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.118g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number