2-(Aminomethyl)-4-(hydroxymethyl)furan
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Basic information
- CAS
114582-77-3- Standard SMILES
NCc1cc(CO)co1- InChIKey
CVWNXZIWTGVJNP-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Names & identifiers
- Preferred name
- 2-(Aminomethyl)-4-(hydroxymethyl)furan
- IUPAC
- [5-(aminomethyl)furan-3-yl]methanol
- English name
- 2-(aminomethyl)-4-(hydroxymethyl)furan
- Molecular formula
- C6H9NO2
- Molecular weight
- 127.14
Names & synonyms
114582-77-3AMHMF2-(Aminomethyl)-4-(hydroxymethyl)furanRefChem:84561[5-(aminomethyl)furan-3-yl]methanolDTXSID00921428AKOS0063647053-Furanmethanol, 5-(aminomethyl)-
Database identifiers
- CAS
114582-77-3- PubChem CID
- 195093
- DTXSID
DTXSID00921428
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- Boiling point
- 125.4 · 125.4±9.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 14.14 · 14.14±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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