N~1~,N~3~-bis(4-ethylphenyl)isophthalamide
Basic information
- CAS
326898-59-3- Standard SMILES
CCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(CC)cc3)c2)cc1- InChIKey
UEUPWKVBZGHMHB-UHFFFAOYSA-N- Molecular formula
- C24H24N2O2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18377801
Names & identifiers
- Preferred name
- N~1~,N~3~-bis(4-ethylphenyl)isophthalamide
- IUPAC
- 1-N,3-N-bis(4-ethylphenyl)benzene-1,3-dicarboxamide
- English name
- 1-N,3-N-bis(4-ethylphenyl)benzene-1,3-dicarboxamide
- Molecular formula
- C24H24N2O2
- Molecular weight
- 372.46
Names & synonyms
Oprea1_0862631-N,3-N-bis(4-ethylphenyl)benzene-1,3-dicarboxamideSTL260531AKOS001603969ST011866EU-0068926N~1~,N~3~-bis(4-ethylphenyl)isophthalamideN,N'-bis(4-ethylphenyl)benzene-1,3-dicarboxamideSR-01000406831SR-01000406831-1N~1~,N~3~-bis(4-ethylphenyl)benzene-1,3-dicarboxamideN-(4-ethylphenyl){3-[N-(4-ethylphenyl)carbamoyl]phenyl}carboxamide
Show more names
N,N'-BIS-(4-ETHYL-PHENYL)-ISOPHTHALAMIDEN,N'-BIS-(4-ETHYL-PHENYL)-ISOPHTHALAMIDE1,3-Benzenedicarboxamide, N1,N3-bis(4-ethylphenyl)-
326898-59-3
Database identifiers
- CAS
326898-59-3- PubChem CID
- 984618
- EC Number
- 163-658-9
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 437.7 · 437.7±45.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 12.75 · 12.75±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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 Chronic 4 (100%)
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Compound notes
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