5-Diethylaminomethyl-2-phenyl-furan-3-carboxylic acid
Basic information
- CAS
435341-94-9- Standard SMILES
CCN(CC)Cc1cc(C(=O)O)c(-c2ccccc2)o1- InChIKey
JHOVMQMLNCCFTP-UHFFFAOYSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Names & identifiers
- Preferred name
- 5-Diethylaminomethyl-2-phenyl-furan-3-carboxylic acid
- IUPAC
- 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid
- English name
- 5-Diethylaminomethyl-2-phenyl-furan-3-carboxylic acid
- Molecular formula
- C16H19NO3
- Molecular weight
- 273.33
Names & synonyms
5-Diethylaminomethyl-2-phenyl-furan-3-carboxylic acid435341-94-95-[(diethylamino)methyl]-2-phenyl-3-furoic acid632296-54-95-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid5-[(diethylamino)methyl]-2-phenylfuran-3-carboxylic acid5-((Diethylamino)methyl)-2-phenylfuran-3-carboxylic acid5-DIETHYLAMINOMETHYL-2-PHENYL-FURAN-3-CARBOXYLIC ACID HYDROCHLORIDETimTec1_0071275-diethylaminomethyl-2-phenylfuran-3-carboxylic acidCHEMBL1620153DTXSID60963026
Show more names
CHEMBRDG-BB 72627065-[(diethylamino)methyl]-2-phenyl-3-furoic acid hydrochloride5-(diethylaminomethyl)-2-phenyl-3-furancarboxylic acid hydrochloride
HMS1554D21SBB027882AKOS000300578BS-37961ST072756DB-0511005-(diethylaminomethyl)-2-phenyl-furan-3-carboxylic acid
Database identifiers
- CAS
435341-94-9- PubChem CID
- 769110
- DTXSID
DTXSID60963026- ChEMBL
CHEMBL1620153
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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