2-(2,3-Dimethylphenoxy)aniline
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Basic information
- CAS
3169-78-6- Standard SMILES
Cc1cccc(Oc2ccccc2N)c1C- InChIKey
TWLQYCULKQEAPS-UHFFFAOYSA-N- Molecular formula
- C14H15NO
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.1153641
Names & identifiers
- Preferred name
- 2-(2,3-Dimethylphenoxy)aniline
- IUPAC
- 2-(2,3-dimethylphenoxy)aniline
- English name
- 2-(2,3-DIMETHYLPHENOXY)ANILINE
- Molecular formula
- C14H15NO
- Molecular weight
- 213.27
Names & synonyms
2-(2,3-DIMETHYLPHENOXY)ANILINE3169-78-6DTXSID7012972012-(2,3-Dimethylphenoxy)benzenamineAKOS000215361Benzenamine, 2-(2,3-dimethylphenoxy)-1--2.3-dimethyl-benzol
Database identifiers
- CAS
3169-78-6- PubChem CID
- 20109515
- DTXSID
DTXSID701297201
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 319.3 · 319.3±30.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- pka
- 4 · 4.00±0.10(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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