Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Isobutylamino-3-nitroquinoline |
EINECS | N/A |
CAS No. | 99009-85-5 | Density | 1.239 g/cm3 |
PSA | 70.74000 | LogP | 3.80710 |
Solubility | N/A | Melting Point |
119-121 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3)) |
Formula | C13H15N3O2 | Boiling Point | 398.022 °C at 760 mmHg |
Molecular Weight | 245.281 | Flash Point | 194.517 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Nitro-4-(2-methylpropylamino)quinoline;4-Isobutylamino-3-nitroquinoline; |
Article Data | 9 |
The 4-Isobutylamino-3-nitroquinoline, with CAS registry number 99009-85-5, has the systematic name of N-(2-methylpropyl)-3-nitroquinolin-4-amine. Besides this, it is also called 4-Quinolinamine, N-(2-methylpropyl)-3-nitro-. And the chemical formula of this chemical is C13H15N3O2.
Physical properties of 4-Isobutylamino-3-nitroquinoline: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 312; (6)ACD/BCF (pH 7.4): 327; (7)ACD/KOC (pH 5.5): 2091; (8)ACD/KOC (pH 7.4): 2195; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.74 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 72.199 cm3; (15)Molar Volume: 197.968 cm3; (16)Polarizability: 28.622×10-24cm3; (17)Surface Tension: 53.885 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 194.517 °C; (20)Enthalpy of Vaporization: 64.854 kJ/mol; (21)Boiling Point: 398.022 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CNc1c2ccccc2ncc1N(=O)=O
(2)InChI: InChI=1/C13H15N3O2/c1-9(2)7-15-13-10-5-3-4-6-11(10)14-8-12(13)16(17)18/h3-6,8-9H,7H2,1-2H3,(H,14,15)
(3)InChIKey: CDUWBBGUDMBQDE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H15N3O2/c1-9(2)7-15-13-10-5-3-4-6-11(10)14-8-12(13)16(17)18/h3-6,8-9H,7H2,1-2H3,(H,14,15)
(5)Std. InChIKey: CDUWBBGUDMBQDE-UHFFFAOYSA-N