Name: N-(4-AMINOPHENYL)MALEIMIDE
SKU: 29753-26-2

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Basic Information

Molecular Structure:
CAS No.:	29753-26-2
Name:	N-(4-AMINOPHENYL)MALEIMIDE
Article Data:	10

Formula:	C₁₀H₈N₂O₂
Molecular Weight:	188.186
Synonyms:	1-(4-Aminophenyl)-1H-pyrrole-2,5-dione;N-(p-Aminophenyl)maleimide;
EINECS:	249-824-4
Density:	1.419 g/cm³
Melting Point:	173 °C
Boiling Point:	401 °C at 760 mmHg
Flash Point:	196.3 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	63.40000
LogP:	1.34440

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Specification

The CAS registry number of 1H-Pyrrole-2,5-dione,1-(4-aminophenyl)- is 29753-26-2. The IUPAC name is 1-(4-aminophenyl)-1H-pyrrole-2,5-dione. Its EINECS registry number is 249-824-4. In addition, the molecular formula is C₁₀H₈N₂O₂ and the molecular weight is 188.18. It belongs to the classes of Miscellaneous; N-Substituted Maleimides; N-Substituted Maleimides, Succinimides & Phthalimides. And it should be stored in a cool and dry place. If without government permission, you can not put this material into surroundings.

Physical properties about this chemical are: (1)ACD/LogP: -0.19; (2)ACD/LogD (pH 5.5): -0.2; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.44; (7)ACD/KOC (pH 7.4): 18.73; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 40.62 Å²; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 50.55 cm³; (14)Molar Volume: 132.5 cm³; (15)Polarizability: 20.04 ×10^-24cm³; (16)Surface Tension: 72.4 dyne/cm; (17)Density: 1.419 g/cm³; (18)Flash Point: 196.3 °C; (19)Enthalpy of Vaporization: 65.2 kJ/mol; (20)Boiling Point: 401 °C at 760 mmHg; (21)Vapour Pressure: 1.22E-06 mmHg at 25°C.

Preparation of 1H-Pyrrole-2,5-dione,1-(4-aminophenyl)-: it can be prepared by 3-(4-amino-phenylcarbamoyl)-acrylic acid. This reaction will need reagent -hydroxybenzotriazole hydrate, dicyclohexylcarbodiimide and solvent CH₂Cl₂. The reaction should react for 2 hours at reaction temperature of 0 °C. Then the reaction should react for 12 hour at reaction temperature of 25 °C. The yield is about 63%.

1H-Pyrrole-2,5-dione,1-(4-aminophenyl)- can be prepared by 3-(4-amino-phenylcarbamoyl)-acrylic acid

Uses of 1H-Pyrrole-2,5-dione,1-(4-aminophenyl)-: it can react with bromoacetyl bromide to get N-(4-bromoacetamidophenyl)maleimide. This reaction will need reagent pyridine and solvent CH₂Cl₂. The reaction time is 30 minutes at reaction temperature of 0 °C. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C=C/C(=O)N2c1ccc(N)cc1
(2)InChI: InChI=1/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2
(3)InChIKey: XOPCHXSYQHXLHJ-UHFFFAOYAI