| CAS Number | 1156393-79-1 |
| Catalog Number | AG01AH7Z |
| Chemical Name | 4-[(dimethyl-4H-1,2,4-triazol-3-yl)methoxy]aniline |
| IUPAC Name | 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline |
| InChI | InChI=1S/C11H14N4O/c1-8-13-14-11(15(8)2)7-16-10-5-3-9(12)4-6-10/h3-6H,7,12H2,1-2H3 |
| InChI Key | LOTRBXGAYLDYFA-UHFFFAOYSA-N |
| MDL Number | MFCD12191333 |
| Molecular Formula | C11H14N4O |
| Molecular Weight | 218.2551 |
| SMILES | CC1N(C)C(COC2=CC=C(N)C=C2)=NN=1 |
| Synonyms | 4-[(dimethyl-4H-1,2,4-triazol-3-yl)methoxy]aniline,
1156393-79-1,
ZINC35696478,
EN300-73958,
4-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methoxy]aniline,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.26g/mol |
| Monoisotopic Mass | 218.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number