| CAS Number | 423176-41-4 |
| Catalog Number | AG00J3I2(AGN-PC-0WB7VR) |
| Chemical Name | [2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amine dihydrochloride |
| IUPAC Name | 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H13N3.2ClH/c1-5-7(3-4-8)6(2)10-9-5;;/h3-4,8H2,1-2H3,(H,9,10);2*1H |
| InChI Key | NCSZCMIXBSWWMS-UHFFFAOYSA-N |
| MDL Number | MFCD02628168 |
| Molecular Formula | C7H15Cl2N3 |
| Molecular Weight | 212.1201 |
| SMILES | N1=C(C)C(=C(C)N1)CCN.Cl.Cl |
| Synonyms | 423176-41-4,
[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amine dihydrochloride,
2-(3,5-Dimethyl-1H-Pyrazol-4-Yl)Ethan-1-Amine Dihydrochloride,
4-(2-aminoethyl)-3,5-dimethylpyrazole dihydrochloride,
SCHEMBL1999396,
NCSZCMIXBSWWMS-UHFFFAOYSA-N,
MFCD02628168,
AKOS024397460,
MCULE-8894795762,
Z2106606067,
2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethanamine dihydrochloride,
2-(3,5-dimethyl-1H-pyrazol-1-ium-4-yl)ethylammonium dichloride,
[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]amine dihydrochloride, AldrichCPR,
|
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.118g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 2 |
| 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