| CAS Number | 1082766-55-9 |
| Catalog Number | AG008V67(AGN-PC-0WB5GI) |
| Chemical Name | 2-Ethyl-5-(4H-1,2,4-triazol-4-YL)aniline |
| IUPAC Name | 2-ethyl-5-(1,2,4-triazol-4-yl)aniline |
| InChI | InChI=1S/C10H12N4/c1-2-8-3-4-9(5-10(8)11)14-6-12-13-7-14/h3-7H,2,11H2,1H3 |
| InChI Key | SHWFGFCIZCLHTA-UHFFFAOYSA-N |
| MDL Number | MFCD11505344 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| SMILES | N1(C=NN=C1)C1=CC=C(C(N)=C1)CC |
| Synonyms | 2-ETHYL-5-(4H-1,2,4-TRIAZOL-4-YL)ANILINE,
1082766-55-9,
CTK4A5952,
DTXSID90651540,
MFCD11505344,
STL412414,
ZINC20120437,
AKOS000112625,
MCULE-6695657468,
AJ-76054,
Y-6790,
2-ethyl-5-(4H-1,2,4-triazol-4-yl)aniline(SALTDATA,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.234g/mol |
| Monoisotopic Mass | 188.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number