Ethyl 2-(tert-butylamino)-4-[(2-phenylacetyl)hydrazinylidene]furan-3-carboxylate
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Basic information
- CAS
907956-45-0- Standard SMILES
CCOC(=O)C1=C(NC(C)(C)C)OCC1=NNC(=O)Cc1ccccc1- InChIKey
NMNOLMVTRYIUAO-UHFFFAOYSA-N- Molecular formula
- C19H25N3O4
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.18450629
Names & identifiers
- Preferred name
- Ethyl 2-(tert-butylamino)-4-[(2-phenylacetyl)hydrazinylidene]furan-3-carboxylate
- IUPAC
- ethyl 2-(tert-butylamino)-4-[(2-phenylacetyl)hydrazinylidene]furan-3-carboxylate
- English name
- 3-Furancarboxylic acid, 2-[(1,1-dimethylethyl)amino]-4,5-dihydro-4-[(phenylacetyl)hydrazono]-, ethyl ester (9CI)
- Molecular formula
- C19H25N3O4
- Molecular weight
- 359.42
Names & synonyms
NCI60_0125353-Furancarboxylic acid, 2-[(1,1-dimethylethyl)amino]-4,5-dihydro-4-[2-(2-phenylacetyl)hydrazinylidene]-, ethyl ester3-Furancarboxylic acid, 2-[(1,1-dimethylethyl)amino]-4,5-dihydro-4-[(phenylacetyl)hydrazono]-, ethyl ester (9CI)
Database identifiers
- CAS
907956-45-0- PubChem CID
- 135438292
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 12.21 · 12.21±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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