2,5-Dimethoxy-4-methylaniline
Basic information
- CAS
34238-59-0- Standard SMILES
COc1cc(N)c(OC)cc1C- InChIKey
CWIBPAGDXLMLNI-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-4-methylaniline
- IUPAC
- 2,5-dimethoxy-4-methylaniline
- English name
- Benzenamine, 2,5-dimethoxy-4-methyl-
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
2,5-dimethoxy-4-methylaniline34238-59-0benzenamine, 2,5-dimethoxy-4-methyl-DTXSID10349159RefChem:247511DTXCID20300231InChI=1/C9H13NO2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5H,10H2,1-3H2,5-dimethoxy-4-methylbenzenamineSCHEMBL1707894CWIBPAGDXLMLNI-UHFFFAOYSA-NDB-329656
Database identifiers
- CAS
34238-59-0- PubChem CID
- 643376
- DTXSID
DTXSID10349159
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 112 · 112-113 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 287.1 · 287.1±35.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±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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