| CAS Number | 1235441-33-4 |
| Catalog Number | AG01A828 |
| Chemical Name | [1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanamine hydrochloride |
| IUPAC Name | [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C10H12N4O.ClH/c1-15-10-4-2-3-9(5-10)14-7-8(6-11)12-13-14;/h2-5,7H,6,11H2,1H3;1H |
| InChI Key | GOWGCNTVENIVHT-UHFFFAOYSA-N |
| MDL Number | MFCD15209585 |
| Molecular Formula | C10H13ClN4O |
| Molecular Weight | 240.6894 |
| SMILES | Cl.COC1=CC(N2N=NC(CN)=C2)=CC=C1 |
| Synonyms | [1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanamine hydrochloride,
1235441-33-4,
AC1Q3C1K,
MCULE-8245547578,
NE57883,
VS-0187,
EN300-60528,
Z969560568,
1-[1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanamine hydrochloride,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.691g/mol |
| Monoisotopic Mass | 240.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number