(butan-2-ylideneamino) N-[4-[[4-[(butan-2-ylideneamino)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
Basic information
- CAS
77337-86-1- Standard SMILES
CCC(C)=NOC(=O)Nc1ccc(Cc2ccc(NC(=O)ON=C(C)CC)cc2)cc1- InChIKey
DRZWGRAUXYXXLT-UHFFFAOYSA-N- Molecular formula
- C23H28N4O4
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.21105539
Names & identifiers
- Preferred name
- (butan-2-ylideneamino) N-[4-[[4-[(butan-2-ylideneamino)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
- IUPAC
- (butan-2-ylideneamino) N-[4-[[4-[(butan-2-ylideneamino)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
- English name
- 2-butanone,o,o'-[methylenebis(4,1-phenyleneiminocarbonyl)]dioxime
- Molecular formula
- C23H28N4O4
- Molecular weight
- 424.5
Names & synonyms
SCHEMBL24784488DRZWGRAUXYXXLT-UHFFFAOYSA-N2-butanone,o,o'-[methylenebis(4,1-phenyleneiminocarbonyl)]dioxime2-Butanone, O,O'-[methylenebis(4,1-phenyleneiminocarbonyl)]dioxime2-Butanone, 2,2'-[O,O'-[methylenebis(4,1-phenyleneiminocarbonyl)]dioxime]
Database identifiers
- CAS
77337-86-1- PubChem CID
- 91997698
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 12.7 · 12.70±0.70(Predicted)
- EPA Substance Registry System
- 2 · 2-Butanone, O,O'-[methylenebis(4,1-phenyleneiminocarbonyl)]dioxime (77337-86-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
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Related reactions
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Compound notes
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