3-[(Furan-2-ylmethoxy)methyl]aniline
Basic information
- CAS
1016534-46-5- Standard SMILES
Nc1cccc(COCc2ccco2)c1- InChIKey
MVBPXKRSAKNDTQ-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 3-[(Furan-2-ylmethoxy)methyl]aniline
- IUPAC
- 3-(furan-2-ylmethoxymethyl)aniline
- English name
- 3-[(furan-2-ylmethoxy)methyl]aniline
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
3-[(furan-2-ylmethoxy)methyl]aniline1016534-46-53-{[(furan-2-yl)methoxy]methyl}aniline3-(furan-2-ylmethoxymethyl)anilineRQB53446AKOS000153570CS-0249623EN300-44140G33045Benzenamine, 3-[(2-furanylmethoxy)methyl]-
Database identifiers
- CAS
1016534-46-5- PubChem CID
- 20115166
- EC Number
- 121-209-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 327.6 · 327.6±27.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 4.28 · 4.28±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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