1-(2-(4-Butoxybenzoyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate
Basic information
- CAS
880067-74-3- Standard SMILES
CCCCOc1ccc(C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1- InChIKey
YDQMZJNRHXUHNW-AJBULDERSA-N- Molecular formula
- C30H28N2O4
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.20490738
Names & identifiers
- Preferred name
- 1-(2-(4-Butoxybenzoyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate
- IUPAC
- [1-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
- English name
- 1-(2-(4-Butoxybenzoyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate
- Molecular formula
- C30H28N2O4
- Molecular weight
- 480.56
Names & synonyms
AKOS0244113041-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATEBenzoic acid, 3-methyl-, 1-[[2-(4-butoxybenzoyl)hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
880067-74-3- PubChem CID
- 9607576
- EC Number
- 131-083-2
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- Density
- 1.155 · 1.155±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.784 · 11.784±0.46(predicted)
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Compound notes
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