| CAS Number | 1803571-44-9 |
| Catalog Number | AG00ANNL |
| Chemical Name | 1-(1H-pyrazol-3-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C5H9N3.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3,(H,7,8);2*1H |
| InChI Key | MEWRIHSHGPNYSX-UHFFFAOYSA-N |
| MDL Number | MFCD28125102 |
| Molecular Formula | C5H11Cl2N3 |
| Molecular Weight | 184.0669 |
| SMILES | Cl.Cl.CC(C1=NNC=C1)N |
| Synonyms | 1803571-44-9,
1-[1H-Pyrazol-3-yl]ethanamine dihydrochloride,
1-(1H-pyrazol-3-yl)ethan-1-amine dihydrochloride,
AKOS026742722,
1-1H-Pyrazol-3-ylethanamine dihydrochloride,
|
| Complexity | 74.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.064g/mol |
| Monoisotopic Mass | 183.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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