Basic information
- CAS
19059-89-3- Standard SMILES
Cc1cc(N)c(O)c(C(C)(C)C)c1- InChIKey
QUFHKFVBPSAABK-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101416
Names & identifiers
- Preferred name
- 2-Amino-6-tert-butyl-4-methyl-phenol
- IUPAC
- 2-amino-6-tert-butyl-4-methylphenol
- English name
- 2-Amino-4-methyl-6-tert-butylphenol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
19059-89-32-Amino-6-tert-butyl-4-methyl-phenol2-Amino-6-tert-butyl-4-methylphenol2-Amino-6-(tert-butyl)-4-methylphenol2-amino-4-methyl-6-tert-butylphenolPhenol, 2-amino-6-(1,1-dimethylethyl)-4-methyl-p-Cresol, 2-amino-6-tert-butyl-SCHEMBL1642851DTXSID303443882-amino-4-methyl-6-tertbutylphenolAKOS0001129712-Amino-4-tert-butyl-6-metyl-phenol
Database identifiers
- CAS
19059-89-3- PubChem CID
- 596458
- DTXSID
DTXSID30344388- Nikkaji
- J102.682H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 138 · 138-139 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 268 · 268.0±40.0 °C(Predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- pka
- 11.45 · 11.45±0.23(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
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