| CAS Number | 857751-18-9 |
| Catalog Number | AG01A9FZ(AGN-PC-0WO858) |
| Chemical Name | 4-methoxy-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline |
| IUPAC Name | 4-methoxy-3-(5-methyltetrazol-1-yl)aniline |
| InChI | InChI=1S/C9H11N5O/c1-6-11-12-13-14(6)8-5-7(10)3-4-9(8)15-2/h3-5H,10H2,1-2H3 |
| InChI Key | LWURPLIVEZKYCS-UHFFFAOYSA-N |
| MDL Number | MFCD12091841 |
| Molecular Formula | C9H11N5O |
| Molecular Weight | 205.2165 |
| SMILES | COC1=C(N2C(C)=NN=N2)C=C(N)C=C1 |
| Synonyms | 4-methoxy-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline,
857751-18-9,
AC1Q44WC,
ZINC36335812,
AKOS008137351,
MCULE-9916636619,
NE33669,
EN300-64992,
Z1262327439,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.221g/mol |
| Monoisotopic Mass | 205.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number