Basic information
- Name:
Benzeneacetic acid,4-amino-, ethyl ester
- Superlist Name:
- Ethyl 4-aminophenylacetate
- CAS No.:
5438-70-0
- Molecular Structure:
- Formula:
- C10H13NO2
- Molecular Weight:
- 179.22
- Synonyms:
- 4-Aminophenylacetic acidethyl ester;4-[(Ethoxycarbonyl)methyl]aniline;Ethyl 2-(4-aminophenyl)acetate;Ethyl 4-aminobenzeneacetate;Ethyl 4-aminophenylacetate;Ethylp-aminophenylacetate;NSC 14373;[4-[(Ethoxycarbonyl)methyl]phenyl]amine;p-Aminophenylacetic acid ethyl ester;Aceticacid, (p-aminophenyl)-, ethyl ester (6CI,7CI,8CI);
- Density:
- 1.112 g/cm3
- Melting Point:
- 48-50 °C
- Boiling Point:
- 292.5 °C at 760 mmHg
- Flash Point:
- 149.4 °C
- Appearance:
- pinkish-white to beige powder
- Hazard Symbols:
Xi- Safety Description:
- 24/25 Details
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Specification
This chemical is called Ethyl 4-aminophenylacetate, and its CAS registry number is 5438-70-0. With the molecular formula of C10H13NO2, its product categories are Aromatic Esters; Phenyls & Phenyl-Het. In addition, this chemical should be sealed in the cool and dry place. If you use this chemical, please avoid contacting with skin and eyes.
Other characteristics of the Ethyl 4-aminophenylacetate can be summarised as followings: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 51.07 cm3; (9)Molar Volume: 161 cm3; (10)Polarizability: 20.24×10-24cm3; (11)Surface Tension: 43.6 dyne/cm; (12)Density: 1.112 g/cm3; (13)Flash Point: 149.4 °C; (14)Enthalpy of Vaporization: 53.2 kJ/mol; (15)Boiling Point: 292.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00183 mmHg at 25°C.
Production method of this chemical: The Ethyl 4-aminophenylacetate could be obtained by the reactants of ethanol and (4-amino-phenyl)-acetic acid. This reaction needs the reagent of H2SO4. This reaction should be taken for 3 hours with the heating.
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Uses of this chemical: The Ethyl 4-aminophenylacetate could react with 2,5-dimethoxy-tetrahydro-furan, and obtain the 4-(1-pirril)fenilacetato dietile. This reaction needs the solvent of acetic acid. The yield is 85 %. In addition, this reaction should be taken for 0.5 hour.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)Cc1ccc(N)cc1
2.InChI: InChI=1/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
3.InChIKey: CFNDVXUTYPXOPG-UHFFFAOYAG