5-(Aminomethyl)-2-furancarboxylic acid
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Basic information
- CAS
934-65-6- Standard SMILES
NCc1ccc(C(=O)O)o1- InChIKey
FUHVYJBSPHDDNU-UHFFFAOYSA-N- Molecular formula
- C6H7NO3
- Average molar mass
- 141.12 g/mol
- Monoisotopic mass
- 141.04259308
Names & identifiers
- Preferred name
- 5-(Aminomethyl)-2-furancarboxylic acid
- IUPAC
- 5-(aminomethyl)furan-2-carboxylic acid
- English name
- 5-(Aminomethyl)-2-furoic acid
- Molecular formula
- C6H7NO3
- Molecular weight
- 141.12
Names & synonyms
5-(aminomethyl)-2-Furancarboxylic acidRefChem:913205934-65-65-(aminomethyl)furan-2-carboxylic acid5-(Aminomethyl)-2-furoic acid5-Aminomethyl-furan-2-carboxylic acid5-Aminomethylfuroic acid2-Furancarboxylic acid, 5-(aminomethyl)-, hydrochloride7007-13-8CHEMBL2147347SCHEMBL183409CHEMBL2220117
Show more names
Ec-000.1532MFCD207311362-Furancarboxylic acid, 5-(aminomethyl)-5-(aminomethyl)-2-furoic acid hydrochloride
DTXSID50918464HMS1697G19ALBB-027650BDBM50391514AKOS000301438FS-6493SB61529FA134892
Database identifiers
- CAS
934-65-6- PubChem CID
- 3129797
- DTXSID
DTXSID50918464- ChEMBL
CHEMBL2147347、CHEMBL2220117- Nikkaji
- J1.677.482K
Properties
Computed structural propertiesFilling in
- XLogP
- -2.5
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 276 °C · 276 °C
- Boiling point
- 317.7 · 317.7±32.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 2.73 · 2.73±0.10(Predicted)
- 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_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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