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1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide

HCID 984627
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Basic information

CAS
81577-22-2
Standard SMILES
Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)c(C)c1
InChIKey
AVNNVMXJUQVGKL-UHFFFAOYSA-N
Molecular formula
C24H24N2O2
Average molar mass
372.5 g/mol
Monoisotopic mass
372.18377801

Names & identifiers

Preferred name
1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
IUPAC
1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
English name
1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
Molecular formula
C24H24N2O2
Molecular weight
372.46

Names & synonyms

Oprea1_2151541-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamideSTL260537AKOS001603996ST011880AB00082376-01SR-01000406833N~1~,N~4~-bis(2,4-dimethylphenyl)terephthalamideSR-01000406833-1N,N'-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamideN~1~,N~4~-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamideN-(2,4-dimethylphenyl){4-[N-(2,4-dimethylphenyl)carbamoyl]phenyl}carboxamide
Show more names
N,N'-BIS-(2,4-DIMETHYL-PHENYL)-TEREPHTHALAMIDEN,N'-BIS-(2,4-DIMETHYL-PHENYL)-TEREPHTHALAMIDE1,4-Benzenedicarboxamide, N1,N4-bis(2,4-dimethylphenyl)-
81577-22-2

Database identifiers

CAS
81577-22-2
PubChem CID
984627
EC Number
163-675-1

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
28
Formal charge
0
Complexity
493

Physicochemical properties

Boiling point
431.2 · 431.2±45.0 °C(Predicted)
Density
1.192 · 1.192±0.06 g/cm3(Predicted)
pka
12.6 · 12.60±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 · 3 items

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%)

Related reactions

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Compound notes

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