Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O- InChIKey
KEGYWMCBTWLUME-UHFFFAOYSA-N- Molecular formula
- C37H59N3O
- Average molar mass
- 561.9 g/mol
- Monoisotopic mass
- 561.46581351
Names & identifiers
- Preferred name
- 2-(Benzotriazol-2-yl)-4-methyl-6-tetracosylphenol
- IUPAC
- 2-(benzotriazol-2-yl)-4-methyl-6-tetracosylphenol
- English name
- Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-tetracosyl-
- Molecular formula
- C37H59N3O
- Molecular weight
- 561.88
Names & synonyms
104487-30-12-(Benzotriazol-2-yl)-4-methyl-6-tetracosylphenolPhenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-tetracosyl-SCHEMBL96289402-(2H-Benzotriazol-2-yl)-4-methyl-6-tetracosylphenolDTXSID309045472-(2-Hydroxy-3-tetracosyl-5-methylphenyl)-2H-benzotriazole2-(2H-1,2,3-Benzotriazol-2-yl)-4-methyl-6-tetracosylphenolTINUVIN 571/ 2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol/Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-tetracosyl-/23328-53-2/125304-04-3/104487-30-14
Database identifiers
- CAS
104487-30-1- PubChem CID
- 20195652
- DTXSID
DTXSID30904547
Properties
Computed structural properties
- XLogP
- 16
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 24
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 668.5 · 668.5±65.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 8.4 · 8.40±0.50(Predicted)
Chemistry & industry
Suppliers3 total
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Linked notes
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