1-Benzyl-4-(diethoxymethyl)-1,2,3-triazole - CAS 133735-81-6
Catalog: |
BB073715 |
Product Name: |
1-Benzyl-4-(diethoxymethyl)-1,2,3-triazole |
CAS: |
133735-81-6 |
Synonyms: |
1-BENZYL-4-(DIETHOXYMETHYL)-1,2,3-TRIAZOLE; 1-benzyl-4-(diethoxymethyl)-1H-1,2,3-triazole; 1-benzyl-4-(diethoxymethyl)triazole |
IUPAC Name: | 1-benzyl-4-(diethoxymethyl)triazole |
Molecular Weight: | 261.32 |
Molecular Formula: | C14H19N3O2 |
Canonical SMILES: | CCOC(C1=CN(N=N1)CC2=CC=CC=C2)OCC |
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 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.147726857 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.147726857 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 49.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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