| CAS Number | 1258650-54-2 |
| Catalog Number | AG01AAQD |
| Chemical Name | [5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methanamine hydrochloride |
| IUPAC Name | [3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C10H12N4O.ClH/c1-15-8-4-2-7(3-5-8)10-12-9(6-11)13-14-10;/h2-5H,6,11H2,1H3,(H,12,13,14);1H |
| InChI Key | KNSWTTZYGZWZIV-UHFFFAOYSA-N |
| MDL Number | MFCD17480387 |
| Molecular Formula | C10H13ClN4O |
| Molecular Weight | 240.6894 |
| SMILES | Cl.COC1=CC=C(C2NN=C(CN)N=2)C=C1 |
| Synonyms | [5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methanamine hydrochloride,
1258650-54-2,
AC1Q3C2X,
MCULE-5508787154,
NE37176,
VS-0299,
EN300-69289,
Z1263714090,
1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.691g/mol |
| Monoisotopic Mass | 240.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number