| CAS Number | 1609395-48-3 |
| Catalog Number | AG00J1F7 |
| Chemical Name | 2-(1H-tetrazol-5-yl)aniline hydrate |
| IUPAC Name | 2-(2H-tetrazol-5-yl)aniline;hydrate |
| InChI | InChI=1S/C7H7N5.H2O/c8-6-4-2-1-3-5(6)7-9-11-12-10-7;/h1-4H,8H2,(H,9,10,11,12);1H2 |
| InChI Key | YFWCNKSJFLSBIO-UHFFFAOYSA-N |
| MDL Number | MFCD26959596 |
| Molecular Formula | C7H9N5O |
| Molecular Weight | 179.1793 |
| SMILES | C1(NN=NN=1)C1=CC=CC=C1N.O |
| Synonyms | 2-(1H-Tetrazol-5-yl)aniline hydrate,
1609395-48-3,
BB_SC-12077,
ZX-CM004215,
MFCD26959596,
AKOS030504935,
4014070-25G,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.183g/mol |
| Monoisotopic Mass | 179.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number