2-(2-tert-Butyl-5-methylphenoxy)aniline
Basic information
- CAS
20349-42-2- Standard SMILES
Cc1ccc(C(C)(C)C)c(Oc2ccccc2N)c1- InChIKey
XOQCIBMHBHDBQP-UHFFFAOYSA-N- Molecular formula
- C17H21NO
- Average molar mass
- 255.35 g/mol
- Monoisotopic mass
- 255.16231429
Names & identifiers
- Preferred name
- 2-(2-tert-Butyl-5-methylphenoxy)aniline
- IUPAC
- 2-(2-tert-butyl-5-methylphenoxy)aniline
- English name
- 2-(2-tert-butyl-5-methylphenoxy)aniline
- Molecular formula
- C17H21NO
- Molecular weight
- 255.35
Names & synonyms
2-(2-tert-Butyl-5-methylphenoxy)aniline20349-42-2EINECS 243-755-3SCHEMBL29584592Benzenamine, 2-[2-(1,1-dimethylethyl)-5-methylphenoxy]-DTXSID80174258XOQCIBMHBHDBQP-UHFFFAOYSA-NDB-363955NS000265932-(2-TERT-BUTYL -5-METHYLPHENOXY)ANILINE2-[2-(1,1-Dimethylethyl)-5-methylphenoxy]benzenamine2-Aminophenyl(2-tert-butyl-5-methylphenyl) ether
Database identifiers
- CAS
20349-42-2- PubChem CID
- 88503
- DTXSID
DTXSID80174258- EC Number
- 243-755-3
- Nikkaji
- J60.172A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 344.3 · 344.3±37.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- pka
- 4 · 4.00±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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