Basic information
- CAS
321531-59-3- Standard SMILES
COc1ccc(OC)c(NC(=O)c2cccc(C(=O)Nc3cc(OC)ccc3OC)c2)c1- InChIKey
YVPWRKZEWVLEHJ-UHFFFAOYSA-N- Molecular formula
- C24H24N2O6
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.16343649
Names & identifiers
- Preferred name
- N1,N3-Bis(2,5-dimethoxyphenyl)-1,3-benzenedicarboxamide
- IUPAC
- 1-N,3-N-bis(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
- English name
- 1-N,3-N-bis(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
- Molecular formula
- C24H24N2O6
- Molecular weight
- 436.46
Names & synonyms
321531-59-3N1,N3-Bis(2,5-dimethoxyphenyl)-1,3-benzenedicarboxamideRefChem:365057N~1~,N~3~-Bis(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamideOprea1_698709Oprea1_727688N,N'-BIS-(2,5-DIMETHOXY-PHENYL)-ISOPHTHALAMIDEDTXSID301203191STK395841AKOS001648264ST011847AG-690/11632192
Show more names
1,3-Benzenedicarboxamide, N1,N3-bis(2,5-dimethoxyphenyl)-1-N,3-N-bis(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
SR-01000477924N~1~,N~3~-bis(2,5-dimethoxyphenyl)isophthalamideSR-01000477924-1N,N'-bis(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamideN-(2,5-dimethoxyphenyl){3-[N-(2,5-dimethoxyphenyl)carbamoyl]phenyl}carboxamide
Database identifiers
- CAS
321531-59-3- PubChem CID
- 984601
- DTXSID
DTXSID301203191- EC Number
- 164-424-9
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Boiling point
- 510.3 · 510.3±50.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 11 · 11+-.0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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