5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Basic information
- CAS
1020252-23-6- Standard SMILES
COc1ccc(CCNC=C2C(=O)OC(C)(C)OC2=O)cc1OC- InChIKey
GTLWGXHYGYVFIV-UHFFFAOYSA-N- Molecular formula
- C17H21NO6
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.13688739
Names & identifiers
- Preferred name
- 5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-(((2-(3,4-Dimethoxyphenyl)ethyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C17H21NO6
- Molecular weight
- 335.35
Names & synonyms
1020252-23-65-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneMFCD001294725-(((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE5-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-{[(3,4-dimethoxyphenethyl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione5-(((3,4-Dimethoxyphenethyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-[[[2-(3,4-Dimethoxyphenyl)ethyl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dioneDTXSID201127136SBB062541AKOS005110542MS-6472
Show more names
1,3-Dioxane-4,6-dione, 5-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methylene]-2,2-dimethyl-
FD1698875-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylene)-2,2-dimethyl-1,3-dioxane-4, 6-dione5-[[2-(3,4-dimethoxyphenyl)ethylamino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Database identifiers
- CAS
1020252-23-6- PubChem CID
- 4190974
- DTXSID
DTXSID201127136
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- 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
Suppliers
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Related reactions
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Compound notes
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