Basic information
- CAS
34849-42-8- Standard SMILES
Cc1cc(C(=O)NC2CCCCC2)c(C)o1- InChIKey
OYRIKLVYHTWHCZ-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- Cyclafuramid
- IUPAC
- N-cyclohexyl-2,5-dimethylfuran-3-carboxamide
- English name
- N-cyclohexyl-2,5-dimethyl-3-furamide
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
Cyclafuramid34849-42-8CyclafuramideCyclafuramid [ISO]EINECS 252-249-1UNII-HHY5KTH40ZHHY5KTH40Z3-Furancarboxamide, N-cyclohexyl-2,5-dimethyl-BAS-3270FDTXSID0041808BAS-3271FBAS-3270
Show more names
N-Cyclohexyl-2,5-dimethyl-3-furancarboxamide
N-CYCLOHEXYL-2,5-DIMETHYLFURAN-3-CARBONIC ACID AMIDERefChem:129167DTXCID8021808252-249-1N-Cyclohexyl-2,5-dimethyl-3-furamideN-cyclohexyl-2,5-dimethylfuran-3-carboxamideSCHEMBL54925MLS001157250
Database identifiers
- CAS
34849-42-8- PubChem CID
- 93178
- DTXSID
DTXSID0041808- ChEMBL
CHEMBL1708464- UNII
- HHY5KTH40Z
- EC Number
- 252-249-1
- Nikkaji
- J19.778E
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- Boiling point
- 325.1 · 325.1±42.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.20(Predicted)
- FDA UNII
- 5 KTH40Z · HHY5KTH40Z
- EPA Substance Registry System
- Cyclafuramid (34849-42-8)
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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