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Cas Database |
| Name |
4-Quinolinamine,6-methoxy-2-methyl- |
EINECS | N/A |
| CAS No. | 104217-23-4 | Density | 1.181 g/cm3 |
| PSA | 48.14000 | LogP | 2.71520 |
| Solubility | N/A | Melting Point |
211-213 °C |
| Formula | C11H12N2O | Boiling Point | 366 °C at 760 mmHg |
| Molecular Weight | 188.229 | Flash Point | 175.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-39 | Risk Codes |
 Xi:Irritant; |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
6-Methoxy-2-methyl-4-quinolylamine;4-Amino-6-methoxy-2-methylquinoline; |
Article Data | 9 |
4-Quinolinamine,6-methoxy-2-methyl- Specification
The 4-Quinolinamine,6-methoxy-2-methyl-, with the CAS registry number 104217-23-4, is also known as 4-Amino-6-methoxy-2-methylquinoline. This chemical's molecular formula is C11H12N2O and molecular weight is 188.23. What's more, its systematic name is 6-methoxy-2-methylquinolin-4-amine.
Physical properties of 4-Quinolinamine,6-methoxy-2-methyl- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.01; (6)ACD/KOC (pH 5.5): 1.32; (7)ACD/KOC (pH 7.4): 13.87; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 25.36 Å2; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 57.92 cm3; (14)Molar Volume: 159.3 cm3; (15)Polarizability: 22.96×10-24 cm3; (16)Surface Tension: 50.8 dyne/cm; (17)Density: 1.181 g/cm3; (18)Flash Point: 175.2 °C; (19)Enthalpy of Vaporization: 61.24 kJ/mol; (20)Boiling Point: 366 °C at 760 mmHg; (21)Vapour Pressure: 1.51E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=C(C=C(C=C2)OC)C(=C1)N
(2)InChI: InChI=1S/C11H12N2O/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3,(H2,12,13)
(3)InChIKey: KLQQFYUSSBAOFT-UHFFFAOYSA-N
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