Basic information
- CAS
438221-61-5- Standard SMILES
Cc1cc(C)cc(OCc2ccc(C(=O)NN)o2)c1- InChIKey
DZAXKEKCWHVSEQ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- 5-[(3,5-Dimethylphenoxy)methyl]-2-furohydrazide
- IUPAC
- 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
- English name
- 5-[(3,5-Dimethylphenoxy)methyl]-2-furohydrazide
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
5-[(3,5-dimethylphenoxy)methyl]-2-furohydrazide438221-61-55-[(3,5-dimethylphenoxy)methyl]furan-2-carbohydrazide5-((3,5-Dimethylphenoxy)methyl)furan-2-carbohydrazideMFCD02253813TimTec1_002213Oprea1_151726MLS000767928CHEMBL1341135DTXSID801328085HMS1540E13HMS2786F17
Show more names
SBB000987ZINC00135546AK-968/419224325-[(3,5-dimethylphenoxy)methyl]-2-furancarbohydrazide
ALBB-002541STK046093AKOS003291861LS-01203SMR000431250ST028681CS-0315963H22145
Database identifiers
- CAS
438221-61-5- PubChem CID
- 726923
- DTXSID
DTXSID801328085- ChEMBL
CHEMBL1341135
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Solubility26.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.10(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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