| CAS Number | 1156901-68-6 |
| Catalog Number | AG01AJO2(AGN-PC-0WO8GJ) |
| Chemical Name | 2-(5-ethyl-1H-1,2,3,4-tetrazol-1-yl)aniline |
| IUPAC Name | 2-(5-ethyltetrazol-1-yl)aniline |
| InChI | InChI=1S/C9H11N5/c1-2-9-11-12-13-14(9)8-6-4-3-5-7(8)10/h3-6H,2,10H2,1H3 |
| InChI Key | RKDBAIPIRPUNSD-UHFFFAOYSA-N |
| MDL Number | MFCD12145075 |
| Molecular Formula | C9H11N5 |
| Molecular Weight | 189.2171 |
| SMILES | CCC1N(C2=C(N)C=CC=C2)N=NN=1 |
| Synonyms | 2-(5-ethyl-1H-1,2,3,4-tetrazol-1-yl)aniline,
1156901-68-6,
ZINC35221574,
AKOS008118614,
MCULE-8727925472,
NE29914,
EN300-81534,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.222g/mol |
| Monoisotopic Mass | 189.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number