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| CAS No.: | 94-32-6 |
|---|---|
| Name: | Ethyl 4-(butylamino)benzoate |
| Molecular Structure: | |
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| Formula: | C13H19NO2 |
| Molecular Weight: | 221.299 |
| Synonyms: | Ethyl p-butylaminobenzoate;Benzoicacid, p-(butylamino)-, ethyl ester (6CI,7CI,8CI);Ethyl 4-(butylamino)benzoate; |
| EINECS: | 202-322-9 |
| Density: | 1.039 g/cm3 |
| Melting Point: | 68-70 °C(lit.) |
| Boiling Point: | 338.4 °C at 760 mmHg |
| Flash Point: | 158.4 °C |
| Safety: | 24/25 |
| PSA: | 38.33000 |
| LogP: | 3.14830 |
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Specification
This chemical is called Ethyl 4-(butylamino)benzoate, and its systematic name is Benzoic acid, 4-(butylamino)-, ethyl ester. With the molecular formula of C13H19NO2, its product categories are Aromatic Esters; C12 to C63; Carbonyl Compounds. The CAS registry number of this chemical is 94-32-6. In addition, this chemical should be sealed in the cool and dry place.
Physical properties about Ethyl 4-(butylamino)benzoate are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1077.56; (6)ACD/BCF (pH 7.4): 1078.91; (7)ACD/KOC (pH 5.5): 5153.07; (8)ACD/KOC (pH 7.4): 5159.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 66.16 cm3; (15)Molar Volume: 212.8 cm3; (16)Polarizability: 26.23×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 158.4 °C; (20)Enthalpy of Vaporization: 58.17 kJ/mol; (21)Boiling Point: 338.4 °C at 760 mmHg; (22)Vapour Pressure: 9.87E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc(NCCCC)cc1;
(2)InChI: InChI=1/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H3;
(3)InChIKey: GTXRSQYDLPYYNW-UHFFFAOYAI.