Basic information
- CAS
338426-38-3- Standard SMILES
CCOc1ccc(-c2nn[nH]n2)cc1- InChIKey
UGEDNALQDLACLM-UHFFFAOYSA-N- Molecular formula
- C9H10N4O
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.08546096
Names & identifiers
- Preferred name
- 5-(4-ethoxyphenyl)-2H-tetrazole
- IUPAC
- 5-(4-ethoxyphenyl)-2H-tetrazole
- English name
- 5-(4-ethoxyphenyl)-1H-tetrazole
- Molecular formula
- C9H10N4O
- Molecular weight
- 190.2
Names & synonyms
5-(4-ethoxyphenyl)-2H-tetrazole338426-38-3DTXSID10349437RefChem:299917DTXCID503005075-(4-ethoxyphenyl)-2H-1,2,3,4-tetrazole1H-Tetrazole, 5-(4-ethoxyphenyl)-5-(4-ethoxyphenyl)-1H-tetrazole5-(4-Ethoxy-phenyl)-2H-tetrazoleMLS000029208SCHEMBL577997SCHEMBL702808
Show more names
2H-Tetrazole, 5-(4-ethoxyphenyl)-
CHEMBL1407052HMS2369K155-(4-ethoxyphenyl)-2H-tetraazoleNNA42638AKOS001445424AKOS015996989SMR000001609CS-0245829
Database identifiers
- CAS
338426-38-3- PubChem CID
- 647263
- DTXSID
DTXSID10349437- ChEMBL
CHEMBL1407052- EC Number
- 879-826-6
- Nikkaji
- J3.468.642D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 371.9 · 371.9±44.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±0.10(Predicted)
Chemistry & industry
Applications
Uses5-(4-ethoxyphenyl)-2H-1,2,3,4-tetrazole is used in the preparation of 5-aryltetrazoles as inhibitors of xanthine oxidase for treatment of inflammation.
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
PRINCETON[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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