Trimethylquinoline supplier | CasNO.51366-52-0

Name
2,3,4-trimethylquinoline
EINECS
CAS No. 51366-52-0
Density 1.034 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃N
Boiling Point 285 °C at 760 mmHg
Molecular Weight 171.24
Flash Point 122.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms quinoline, 2,3,4-trimethyl-;
PSA
LogP

Trimethylquinoline 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

Product Name

2,3,4-trimethylquinoline

Trimethylquinoline Specification

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