| CAS Number | 1170572-62-9 |
| Catalog Number | AG019V4Y |
| Chemical Name | 3-[2-(1H-1,2,4-Triazol-1-yl)ethoxy]aniline dihydrochloride |
| IUPAC Name | 3-[2-(1,2,4-triazol-1-yl)ethoxy]aniline;dihydrochloride |
| InChI | InChI=1S/C10H12N4O.2ClH/c11-9-2-1-3-10(6-9)15-5-4-14-8-12-7-13-14;;/h1-3,6-8H,4-5,11H2;2*1H |
| InChI Key | RWDLORHYUPCLFU-UHFFFAOYSA-N |
| MDL Number | MFCD11858128 |
| Molecular Formula | C10H14Cl2N4O |
| Molecular Weight | 277.1504 |
| SMILES | Cl.Cl.NC1=CC(OCCN2N=CN=C2)=CC=C1 |
| Synonyms | 3-[2-(1H-1,2,4-triazol-1-yl)ethoxy]aniline dihydrochloride,
1170572-62-9,
AC1Q3ARQ,
CTK7D9218,
MCULE-1698236666,
NE23968,
EN300-43760,
Z449369004,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.149g/mol |
| Monoisotopic Mass | 276.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number