| CAS Number | 1803591-80-1 |
| Catalog Number | AG01BD2Q(AGN-PC-0WOUJS) |
| Chemical Name | 2-(5H,6H,7H-Pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H12N4.2ClH/c8-4-3-7-10-9-6-2-1-5-11(6)7;;/h1-5,8H2;2*1H |
| InChI Key | USBYDOHNVSWYEE-UHFFFAOYSA-N |
| MDL Number | MFCD28023760 |
| Molecular Formula | C7H14Cl2N4 |
| Molecular Weight | 225.1189 |
| SMILES | Cl.Cl.NCCC1N2C(CCC2)=NN=1 |
| Synonyms | 2-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine dihydrochloride,
1803591-80-1,
AKOS026743862,
Z1891777171,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.117g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number