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103040-78-4

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Basic Information
CAS No.: 103040-78-4
Name: 4-AMINO-7-METHOXYLQUINOLINE
Article Data: 4
Molecular Structure:
Molecular Structure of 103040-78-4 (4-AMINO-7-METHOXYLQUINOLINE)
Formula: C10H10N2O
Molecular Weight: 174.202
Synonyms: Quinoline,4-amino-7-methoxy- (6CI);4-Amino-7-methoxylquinoline;
EINECS: 200-589-5
Density: 1.218 g/cm3
Boiling Point: 369.649 °C at 760 mmHg
Flash Point: 177.357 °C
PSA: 48.14000
LogP: 2.40680
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Specification

The IUPAC name of 4-Quinolinamine,7-methoxy- is 7-methoxyquinolin-4-amine. With the CAS registry number 103040-78-4, it is also named as 4-Amino-7-methoxylquinoline. In addition, its molecular formula is C10H10N2O and its molecular weight is 174.2.

The other characteristics of 4-Quinolinamine,7-methoxy- can be summarized as: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.39; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 48.14 Å2; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 53.1 cm3; (14)Molar Volume: 143 cm3; (15)Polarizability: 21.05×10-24cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Density: 1.217 g/cm3; (18)Flash Point: 177.4 °C; (19)Enthalpy of Vaporization: 61.65 kJ/mol; (20)Boiling Point: 369.6 °C at 760 mmHg; (21)Vapour Pressure: 1.17E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: COc1cc2nccc(N)c2cc1
(2)InChI: InChI=1/C10H10N2O/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3,(H2,11,12)
(3)InChIKey: DZXVXEFSGHJKHI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H10N2O/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3,(H2,11,12)
(5)Std. InChIKey: DZXVXEFSGHJKHI-UHFFFAOYSA-N