| CAS Number | 1311313-97-9 |
| Catalog Number | AG01AIKL |
| Chemical Name | [3-(4H-1,2,4-triazol-3-yl)phenyl]methanamine hydrochloride |
| IUPAC Name | [3-(1H-1,2,4-triazol-5-yl)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C9H10N4.ClH/c10-5-7-2-1-3-8(4-7)9-11-6-12-13-9;/h1-4,6H,5,10H2,(H,11,12,13);1H |
| InChI Key | YFJIAWBAAOBFCP-UHFFFAOYSA-N |
| MDL Number | MFCD18917300 |
| Molecular Formula | C9H11ClN4 |
| Molecular Weight | 210.6634 |
| SMILES | Cl.NCC1=CC(C2NC=NN=2)=CC=C1 |
| Synonyms | [3-(4H-1,2,4-triazol-3-yl)phenyl]methanamine hydrochloride,
1311313-97-9,
AKOS030715212,
MCULE-1409335681,
NE47683,
EN300-78081,
Z1695867572,
|
| Complexity | 162 |
| 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 | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number