Basic information
- CAS
28562-70-1- Standard SMILES
Cc1cc(C(=O)Nc2ccccc2)c(C)o1- InChIKey
XEPBBUCQCXXTGR-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 2,5-Dimethyl-3-furancarboxanilide
- IUPAC
- 2,5-dimethyl-N-phenylfuran-3-carboxamide
- English name
- Furcarbanide
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
3-Furancarboxamide, 2,5-dimethyl-N-phenyl-2,5-Dimethyl-3-Furancarboxylic acid anilide2,5-Dimethyl-3-furancarboxanilideBAS-3191RefChem:141787FurcarbanilFurcarbanide2,5-dimethyl-N-phenylfuran-3-carboxamide28562-70-12,5-Dimethylfuran-3-carboxanilideFurcarbanil [ISO]Bas 3191
Show more names
BenodilBAS-3190BAS-3191F2,5-dimethyl-3-furanilide*mephosfolan Impurity 1 (Phosfolan)2,5-Dimethyl-N-phenyl-3-furancarboxamide
BAS 3191FBAS 3192FBAS 319F3-Furanilide, 2,5-dimethyl-2,5-Dimethyl-N-phenyl-3-furamideNSC 2326743-FURANCARBOXANILIDE, 2,5-DIMETHYL-8B413PER1M
Database identifiers
- CAS
28562-70-1- PubChem CID
- 34281
- DTXSID
DTXSID20182776- ChEMBL
CHEMBL1586181- UNII
- 8B413PER1M
- EC Number
- 106-180-8
- Nikkaji
- J21.608I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 95 · 95-96 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 273.2 · 273.2±40.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.70(Predicted)
- FDA UNII
- 8 B413PER1M · 8B413PER1M
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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%)
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
1 records
Compound notes
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