5-[[(2,5-Dimethoxyphenyl)amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Basic information
- CAS
97545-51-2- Standard SMILES
COc1ccc(OC)c(NC=C2C(=O)OC(C)(C)OC2=O)c1- InChIKey
DIYNLIYFYDWZMS-UHFFFAOYSA-N- Molecular formula
- C15H17NO6
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.10558726
Names & identifiers
- Preferred name
- 5-[[(2,5-Dimethoxyphenyl)amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-(((2,5-Dimethoxyphenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C15H17NO6
- Molecular weight
- 307.3
Names & synonyms
97545-51-25-(((2,5-DIMETHOXYPHENYL)AMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE5-[[(2,5-Dimethoxyphenyl)amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-{[(2,5-dimethoxyphenyl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dioneRefChem:2990105-{[(2,5-dimethoxyphenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dioneMFCD001701755-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneSMR000040997MLS000079551CHEMBL3210174SCHEMBL10158686
Show more names
1,3-Dioxane-4,6-dione, 5-[[(2,5-dimethoxyphenyl)amino]methylene]-2,2-dimethyl-
DTXSID101142004HMS2166J07HMS3308P04SBB062565STK9481145-[(2,5-dimethoxyanilino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dioneAKOS002140253MS-6194
Database identifiers
- CAS
97545-51-2- PubChem CID
- 659997
- DTXSID
DTXSID101142004- ChEMBL
CHEMBL3210174
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 164 · 164-165 °C
- Boiling point
- 517.1 · 517.1±50.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- -1.25 · -1.25±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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