Basic information
- CAS
152665-33-3- Standard SMILES
Cc1cc(-c2nnn(C)n2)cc(C)c1O- InChIKey
RYBFPEHWIREKRA-UHFFFAOYSA-N- Molecular formula
- C10H12N4O
- Average molar mass
- 204.23 g/mol
Overview
structure given in first source
Names & identifiers
- Preferred name
- Win 58768
- IUPAC
- 2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenol
- English name
- 2,6-dimethyl-4-(2-methyl-1H-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-on e
- Molecular formula
- C10H12N4O
- Molecular weight
- 204.23
Names & synonyms
152665-33-3Win 58768Win-58768RefChem:1948862,6-dimethyl-4-(2-methyltetrazol-5-yl)phenol2-methyl-5-(3,5-dimethyl-4-hydroxyphenyl)-2H-tetrazole5-(3,5-Dimethyl-4-hydroxyphenyl)-2-methyltetrazoleSCHEMBL8553788SCHEMBL8556589DTXSID10934564RYBFPEHWIREKRA-UHFFFAOYSA-N2,6-DIMETHYL-4-(2-METHYL-1H-TETRAZOL-5-YLIDENE)CYCLOHEXA-2,5-DIEN-1-ON E
Show more names
4-(2-methyl-tetrazol-5-yl)-2,6-dimethylphenol2-methyl-5-(3,5-dimethyl-4-hydroxyphenyl)tetrazolePhenol, 2,6-dimethyl-4-(2-methyl-2H-tetrazol-5-yl)-Tetrazole, 5-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-2,6-Dimethyl-4-(2-methyl-1,2-dihydro-5H-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
152665-33-3- PubChem CID
- 148372
- DTXSID
DTXSID10934564- Nikkaji
- J845.179F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 405.9 · 405.9±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 8.6 · 8.60±0.25(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
13 records
Compound notes
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