| CAS Number | 54463-82-0 |
| Catalog Number | AG01C4LW |
| Chemical Name | N-methyl-5-phenyl-4H-1,2,4-triazol-3-amine hydrochloride |
| IUPAC Name | N-methyl-5-phenyl-1H-1,2,4-triazol-3-amine;hydrochloride |
| InChI | InChI=1S/C9H10N4.ClH/c1-10-9-11-8(12-13-9)7-5-3-2-4-6-7;/h2-6H,1H3,(H2,10,11,12,13);1H |
| InChI Key | CTFBOSPFGUFUSI-UHFFFAOYSA-N |
| MDL Number | MFCD29763175 |
| Molecular Formula | C9H11ClN4 |
| Molecular Weight | 210.6634 |
| SMILES | Cl.CNC1NC(C2=CC=CC=C2)=NN=1 |
| Synonyms | 54463-82-0,
N-methyl-5-phenyl-4H-1,2,4-triazol-3-amine hydrochloride,
Z2197092389,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.665g/mol |
| Monoisotopic Mass | 210.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number