| CAS Number | 848655-53-8 |
| Catalog Number | AG00J140(AGN-PC-0UUUCF) |
| Chemical Name | 3-(1H-Pyrazol-1-YL)propan-1-amine dihydrochloride |
| IUPAC Name | 3-pyrazol-1-ylpropan-1-amine;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c7-3-1-5-9-6-2-4-8-9;;/h2,4,6H,1,3,5,7H2;2*1H |
| InChI Key | ZILPEDSNQGVPCW-UHFFFAOYSA-N |
| MDL Number | MFCD08146664 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | N1=CC=CN1CCCN.Cl.Cl |
| Synonyms | 3-(1H-PYRAZOL-1-YL)PROPAN-1-AMINE DIHYDROCHLORIDE,
848655-53-8,
3-(1H-Pyrazol-1-yl)propan-1-amine diHCl,
SCHEMBL2247867,
CTK7E8275,
ZILPEDSNQGVPCW-UHFFFAOYSA-N,
MIX-1091,
ZX-BK003047,
ZX-CM002846,
MFCD08146664,
AKOS005144481,
TR-050604,
H8373,
3-(pyrazol-1-yl)propan-1-amine dihydrochloride,
[3-(1H-Pyrazol-1-yl)propyl]amine dihydrochloride,
3-PYRAZOL-1-YL-PROPYLAMINE DIHYDROCHLORIDE,
3-(1H-Pyrazol-1-yl)propan-1-amine di hydrochloride,
75653-86-0,
|
| Complexity | 74.7 |
| 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 | 3 |
| 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