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68141-26-4

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Basic Information
CAS No.: 68141-26-4
Name: 6-ISOBUTYLQUINOLINE
Article Data: 4
Molecular Structure:
Molecular Structure of 68141-26-4 (6-ISOBUTYLQUINOLINE)
Formula: C13H15N
Molecular Weight: 185.269
Synonyms: 6-Isobutylquinoline;6-(2-methylpropyl)quinoline;
EINECS: 268-849-1
Density: 1.012 g/cm3
Boiling Point: 294.1 °C at 760 mmHg
Flash Point: 120.9 °C
PSA: 12.89000
LogP: 3.43330
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Specification

The Quinoline,6-(2-methylpropyl)-, with the CAS registry number 68141-26-4, is also known as 6-Isobutylquinoline. It belongs to the product category of Quinoline & Isoquinoline. Its EINECS number is 268-849-1. This chemical's molecular formula is C13H15N and formula weight is 185.2649. What's more, its systematic name is 6-(2-methylpropyl)quinoline.

Physical properties of Quinoline,6-(2-methylpropyl)- are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.95; (5)ACD/BCF (pH 5.5): 415.03; (6)ACD/BCF (pH 7.4): 592.58; (7)ACD/KOC (pH 5.5): 2349.61; (8)ACD/KOC (pH 7.4): 3354.72; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 60.96 cm3; (15)Molar Volume: 182.9 cm3; (16)Surface Tension: 39.5 dyne/cm; (17)Density: 1.012 g/cm3; (18)Flash Point: 120.9 °C; (19)Enthalpy of Vaporization: 51.23 kJ/mol; (20)Boiling Point: 294.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00291 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC1=CC2=C(C=C1)N=CC=C2
(2)InChI: InChI=1S/C13H15N/c1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13/h3-7,9-10H,8H2,1-2H3
(3)InChIKey: YKGUUBIPVHRERN-UHFFFAOYSA-N