N-(furan-2-ylmethyl)-4-methoxyaniline
Basic information
- CAS
17377-97-8- Standard SMILES
COc1ccc(NCc2ccco2)cc1- InChIKey
XOLWFGQYSFKMFU-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- N-(furan-2-ylmethyl)-4-methoxyaniline
- IUPAC
- N-(furan-2-ylmethyl)-4-methoxyaniline
- English name
- Furan-2-ylmethyl-(4-methoxy-phenyl)-amine
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
17377-97-8N-(furan-2-ylmethyl)-4-methoxyanilineFuran-2-ylmethyl-(4-methoxy-phenyl)-amineN-[(Furan-2-yl)methyl]-4-methoxyaniline2-Furanmethanamine, N-(4-methoxyphenyl)-(2-furylmethyl)(4-methoxyphenyl)amineBAS 04444743furan-2-ylmethyl(4-methoxyphenyl)amineOprea1_245560Oprea1_711386CHEMBL438182SCHEMBL31744573
Show more names
TIMTEC-BB SBB011053N-(4-Methoxyphenyl)-2-furanmethanamine
DTXSID60355301SBB011053STL208147N-(2-furylmethyl)-4-methoxy-anilineAKOS000241555SB61305NCGC00323847-01ST063671
Database identifiers
- CAS
17377-97-8- PubChem CID
- 796203
- DTXSID
DTXSID60355301- ChEMBL
CHEMBL438182- Nikkaji
- J1.408.634J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 41 °C · 41 °C
- Boiling point
- 190 · 190-194 °C(Press: 21 Torr)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 4.53 · 4.53±0.50(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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