| CAS Number | 1431962-30-9 |
| Catalog Number | AG00J31L(AGN-PC-0WB6AA) |
| Chemical Name | [2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine dihydrochloride |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c1-9-5-6(2-3-7)4-8-9;;/h4-5H,2-3,7H2,1H3;2*1H |
| InChI Key | YNSWHCYQDWIUEW-UHFFFAOYSA-N |
| MDL Number | MFCD25371381 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | N1=CC(=CN1C)CCN.Cl.Cl |
| Synonyms | 1431962-30-9,
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride,
[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine dihydrochloride,
MFCD25371381,
AKOS022190133,
MCULE-2933805048,
A-7025,
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| Complexity | 84.4 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.091g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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