Basic information
- CAS
406471-02-1- Standard SMILES
CC(C)(C)c1ccc(OCc2ccc(C(=O)NN)o2)cc1- InChIKey
HMQCCNVWLFAOLM-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- 5-((4-(tert-Butyl)phenoxy)methyl)furan-2-carbohydrazide
- IUPAC
- 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide
- English name
- 5-[(4-tert-butylphenoxy)methyl]-2-furohydrazide
- Molecular formula
- C16H20N2O3
- Molecular weight
- 288.34
Names & synonyms
406471-02-15-((4-(tert-Butyl)phenoxy)methyl)furan-2-carbohydrazide5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide5-[(4-tert-butylphenoxy)methyl]-2-furohydrazide5-(4-tert-Butyl-phenoxymethyl)-furan-2-carboxylic acid hydrazide5-{[4-(tert-butyl)phenoxy]methyl}furan-2-carbohydrazideMFCD02253917MLS000767922CHEMBL1359742DTXSID301320862HMS2786H15SBB019744
Show more names
5-[[4-(1,1-Dimethylethyl)phenoxy]methyl]-2-furancarboxylic acid hydrazide2-Furancarboxylic acid, 5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-, hydrazide
STK298499AKOS000304170SMR000431244CS-0272586ST45158558EN300-227821
Database identifiers
- CAS
406471-02-1- PubChem CID
- 948639
- DTXSID
DTXSID301320862- ChEMBL
CHEMBL1359742
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Solubility6.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.10(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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