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CAS No.: | 15116-32-2 |
---|---|
Name: | Ethyl 4-(4-aminophenyl)butanoate |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H17NO2 |
Molecular Weight: | 207.272 |
Synonyms: | Benzenebutanoic acid, 4-amino-, ethyl ester; |
Density: | 1.068 g/cm3 |
Boiling Point: | 338.179 °C at 760 mmHg |
Flash Point: | 185.985 °C |
PSA: | 52.32000 |
LogP: | 2.73580 |
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The Ethyl 4-(4-aminophenyl)butanoate, with the CAS registry number 15116-32-2, is also known as Benzenebutanoic acid, 4-amino-, ethyl ester. This chemical's molecular formula is C12H17NO2 and molecular weight is 207.2689. What's more, its systematic name is Ethyl 4-(4-aminophenyl)butanoate.
Physical properties about Ethyl 4-(4-aminophenyl)butanoate are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 241; (8)ACD/KOC (pH 7.4): 298; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 60.345 cm3; (15)Molar Volume: 194.04 cm3; (16)Polarizability: 23.922×10-24 cm3; (17)Surface Tension: 41.864 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 185.985 °C; (20)Enthalpy of Vaporization: 58.151 kJ/mol; (21)Boiling Point: 338.179 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CCCc1ccc(N)cc1
(2) InChI: InChI=1/C12H17NO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9H,2-5,13H2,1H3
(3) InChIKey: LQQLBFZHJXGMCR-UHFFFAOYAK