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| CAS No.: | 17400-69-0 |
|---|---|
| Name: | 3-Methyl-5-(4-dimethylaminophenylazo)quinoline |
| Molecular Structure: | |
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| Formula: | C18H18N4 |
| Molecular Weight: | 290.40 |
| Synonyms: | Quinoline, 5-((p-(dimethylamino)phenyl)azo)-3-methyl-;5-((p-(Dimethylamino)phenyl)azo)-3-methylquinoline;N,N-Dimethyl-4-(5-(3-methylquinolyl)azo)aniline;N,N-dimethyl-4-(3-methylquinolin-5-yl)diazenyl-aniline;5-((p-(DIMETHYLAMINO)PHENYL)AZO)-3-METHYL-QUINOLINE;N,N-DIMETHYL-4-(5-(3′-METHYLQUINOLYL)-AZO)ANILINE; |
| Density: | 1.12g/cm3 |
| Boiling Point: | 484.9 °C at 760 mmHg |
| Flash Point: | 247.1 °C |
| PSA: | 40.85000 |
| LogP: | 5.02460 |
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Specification
The 3'-methyl-5'-(p-dimethylaminophenyl-azo)quinoline, with CAS registry number 17400-69-0, has the systematic name of N,N-dimethyl-4-[(E)-(3-methylquinolin-5-yl)diazenyl]aniline. And its IUPAC name is N,N-dimethyl-4-[(3-methylquinolin-5-yl)diazenyl]aniline. And the chemical formula of this chemical is C18H18N4. And its classification code is Tumor data.
Physical properties of 3'-methyl-5'-(p-dimethylaminophenyl-azo)quinoline: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.73; (4)ACD/LogD (pH 7.4): 4.75; (5)ACD/BCF (pH 5.5): 2273.71; (6)ACD/BCF (pH 7.4): 2417.37; (7)ACD/KOC (pH 5.5): 8643.43; (8)ACD/KOC (pH 7.4): 9189.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.85 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 90.41 cm3; (15)Molar Volume: 259.1 cm3; (16)Polarizability: 35.84×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 75.03 kJ/mol; (19)Vapour Pressure: 1.48E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(=N/c1cccc2ncc(cc12)C)\c3ccc(N(C)C)cc3
(2)InChI: InChI=1/C18H18N4/c1-13-11-16-17(19-12-13)5-4-6-18(16)21-20-14-7-9-15(10-8-14)22(2)3/h4-12H,1-3H3/b21-20+
(3)InChIKey: DRUGECURTHTRMQ-QZQOTICOBB
(4)Std. InChI: InChI=1S/C18H18N4/c1-13-11-16-17(19-12-13)5-4-6-18(16)21-20-14-7-9-15(10-8-14)22(2)3/h4-12H,1-3H3/b21-20+
(5)Std. InChIKey: DRUGECURTHTRMQ-QZQOTICOSA-N