Basic information
- Name:
Quinoline,3-ethyl-2-propyl-
- CAS No.:
3290-24-2
- Molecular Structure:
- Formula:
- C14H17N
- Molecular Weight:
- 199.2915
- Synonyms:
- 2-Propyl-3-ethylquinoline;
- EINECS:
- 221-948-3
- Density:
- 1.001 g/cm3
- Boiling Point:
- 292.2 °C at 760 mmHg
- Flash Point:
- 117.8 °C
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Specification
The Quinoline,3-ethyl-2-propyl-, with the CAS registry number of 3290-24-2, is also known as 2-Propyl-3-ethylquinoline. Its EINECS registry number is 221-948-3. This chemical's molecular formula is C14H17N and molecular weight is 199.29148. What's more, its IUPAC name is 3-Ethyl-2-propylquinoline.
Physical properties about the Quinoline,3-ethyl-2-propyl- are: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 426.67; (6)ACD/BCF (pH 7.4): 1764.72; (7)ACD/KOC (pH 5.5): 1753.44; (8)ACD/KOC (pH 7.4): 7252.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 65.91 cm3; (15)Molar Volume: 198.9 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.001 g/cm3; (18)Flash Point: 117.8 °C; (19)Enthalpy of Vaporization: 51.03 kJ/mol; (20)Boiling Point: 292.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00326 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c(c(cc2ccccc12)CC)CCC
(2) InChI: InChI=1/C14H17N/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h5-6,8-10H,3-4,7H2,1-2H3
(3) InChIKey: CXHUPHNAWXTJFS-UHFFFAOYAC