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3095-47-4

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Basic Information
CAS No.: 3095-47-4
Name: ethyl 4-aMino-3,5-diMethylbenzoate
Article Data: 7
Molecular Structure:
Molecular Structure of 3095-47-4 (ethyl 4-aMino-3,5-diMethylbenzoate)
Formula: C11H15NO2
Molecular Weight: 193.246
Synonyms: 2,6-Xylidine-4-carboxylicacid ethyl ester;3,5-Dimethyl-4-aminobenzoic acid ethyl ester;Ethyl 3,5-dimethyl-4-aminobenzoate;Ethyl 4-amino-3,5-dimethylbenzoate;
Density: 1.081 g/cm3
Boiling Point: 343.9 °C at 760 mmHg
Flash Point: 190.5 °C
PSA: 52.32000
LogP: 2.64350
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Specification

The Benzoic acid,4-amino-3,5-dimethyl-, ethyl ester, with the CAS registry number 3095-47-4, is also known as Ethyl 3,5-dimethyl-4-aminobenzoate. This chemical's molecular formula is C11H15NO2 and molecular weight is 193.24. What's more, its systematic name is Ethyl 4-amino-3,5-dimethylbenzoate.

Physical properties of Benzoic acid,4-amino-3,5-dimethyl-, ethyl ester are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 56.54 cm3; (9)Molar Volume: 178.6 cm3; (10)Polarizability: 22.41×10-24 cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.081 g/cm3; (13)Flash Point: 190.5 °C; (14)Enthalpy of Vaporization: 58.78 kJ/mol; (15)Boiling Point: 343.9 °C at 760 mmHg; (16)Vapour Pressure: 6.83E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=C(C(=C1)C)N)C
(2)InChI: InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7(2)10(12)8(3)6-9/h5-6H,4,12H2,1-3H3
(3)InChIKey: GEMKGDSDLYAIRK-UHFFFAOYSA-N