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51366-52-0

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Basic Information
CAS No.: 51366-52-0
Name: 2,3,4-trimethylquinoline
Molecular Structure:
Molecular Structure of 51366-52-0 (2,3,4-trimethylquinoline)
Formula: C12H13N
Molecular Weight: 171.24
Synonyms: quinoline, 2,3,4-trimethyl-;
Density: 1.034 g/cm3
Boiling Point: 285 °C at 760 mmHg
Flash Point: 122.8 °C
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    2,3,4-Trimethylquinoline

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The Trimethylquinoline is an organic compound with the formula C12H13N. The IUPAC name of this chemical is 2,3,4-trimethylquinoline. With the CAS registry number 51366-52-0, it is also named as quinoline, 2,3,4-trimethyl-. In addition, the moleculer weight is 171.24.

The other characteristics of Trimethylquinoline can be summarized as: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 18.43; (6)ACD/BCF (pH 7.4): 216.67; (7)ACD/KOC (pH 5.5): 133.12; (8)ACD/KOC (pH 7.4): 1565.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 56.66 cm3; (15)Molar Volume: 165.5 cm3; (16)Polarizability: 22.46×10-24 cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 122.8 °C; (20)Enthalpy of Vaporization: 50.3 kJ/mol; (21)Boiling Point: 285 °C at 760 mmHg; (22)Vapour Pressure: 0.00495 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:n1c(c(c(c2ccccc12)C)C)C
2. InChI:InChI=1/C12H13N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h4-7H,1-3H3 
3. InChIKey:VBCFHWSPNHEYGE-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C12H13N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h4-7H,1-3H3
5. Std. InChIKey:VBCFHWSPNHEYGE-UHFFFAOYSA-N