| CAS Number | 133735-81-6 |
| Catalog Number | AG00HSZ8(AGN-PC-0WNR1I) |
| Chemical Name | 1-Benzyl-4-(diethoxymethyl)-1,2,3-triazole |
| IUPAC Name | 1-benzyl-4-(diethoxymethyl)triazole |
| InChI | InChI=1S/C14H19N3O2/c1-3-18-14(19-4-2)13-11-17(16-15-13)10-12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3 |
| InChI Key | ORQBAXPHPFNXLN-UHFFFAOYSA-N |
| MDL Number | MFCD21715216 |
| Molecular Formula | C14H19N3O2 |
| Molecular Weight | 261.3196 |
| SMILES | CCOC(C1N=NN(CC2=CC=CC=C2)C=1)OCC |
| Synonyms | 1-BENZYL-4-(DIETHOXYMETHYL)-1,2,3-TRIAZOLE,
133735-81-6,
1-benzyl-4-(diethoxymethyl)-1H-1,2,3-triazole,
CHEMBL429248,
SCHEMBL10475693,
KM3899,
ZINC29127745,
AKOS015558388,
W2870,
1-Benzyl-1H-1,2,3-triazole-4-carbaldehyde diethyl acetal,
C14H19N3O2,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.325g/mol |
| Monoisotopic Mass | 261.148g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 49.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number