| CAS Number | 437768-48-4 |
| Catalog Number | AG019WK1(AGN-PC-0WOS59) |
| Chemical Name | phenyl(1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride |
| IUPAC Name | phenyl(2H-tetrazol-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H9N5.ClH/c9-7(8-10-12-13-11-8)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H,10,11,12,13);1H |
| InChI Key | MSJCHWUFIIPSSY-UHFFFAOYSA-N |
| MDL Number | MFCD12913078 |
| Molecular Formula | C8H10ClN5 |
| Molecular Weight | 211.6515 |
| SMILES | Cl.NC(C1=CC=CC=C1)C1NN=NN=1 |
| Synonyms | phenyl(1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride,
437768-48-4,
AC1Q3CU9,
CTK7D4885,
AKOS015958922,
MCULE-6127211139,
EN300-52207,
Z752371236,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.653g/mol |
| Monoisotopic Mass | 211.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number