| CAS Number | 926262-71-7 |
| Catalog Number | AG019MC8(AGN-PC-0WO940) |
| Chemical Name | 4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline |
| IUPAC Name | 4-methyl-3-(tetrazol-1-yl)aniline |
| InChI | InChI=1S/C8H9N5/c1-6-2-3-7(9)4-8(6)13-5-10-11-12-13/h2-5H,9H2,1H3 |
| InChI Key | VCANBIWZOKQTPT-UHFFFAOYSA-N |
| MDL Number | MFCD09046565 |
| Molecular Formula | C8H9N5 |
| Molecular Weight | 175.1906 |
| SMILES | CC1=C(N2N=NN=C2)C=C(N)C=C1 |
| Synonyms | 4-methyl-3-(1H-tetrazol-1-yl)aniline,
4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline,
926262-71-7,
AC1Q2EFP,
CTK7D6813,
ZINC12481193,
4-Methyl-3-tetrazol-1-yl-phenylamine,
AKOS000130313,
MCULE-7878653632,
NE14183,
BB 0238203,
EN300-35741,
Z359295896,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.195g/mol |
| Monoisotopic Mass | 175.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number