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40107-16-2

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Basic Information
CAS No.: 40107-16-2
Name: 4-AMINO-7-IODOQUINOLINE
Molecular Structure:
Molecular Structure of 40107-16-2 (4-AMINO-7-IODOQUINOLINE)
Formula: C9H7IN2
Molecular Weight: 270.072
Synonyms: 4-Amino-7-iodoquinoline;
Density: 1.913g/cm3
Boiling Point: 410.9 °C at 760 mmHg
Flash Point: 202.3 °C
PSA: 38.91000
LogP: 3.00280
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Specification

The 4-Quinolinamine,7-iodo-, with CAS registry number 40107-16-2, has the systematic name of 7-iodoquinolin-4-amine. Besides this, it is also called 4-amino-7-iodoquinoline. And the chemical formula of this chemical is C9H7IN2.

Physical properties of 4-Quinolinamine,7-iodo-: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 26.09; (7)ACD/KOC (pH 5.5): 8.09; (8)ACD/KOC (pH 7.4): 280.84; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.782; (14)Molar Refractivity: 59.32 cm3; (15)Molar Volume: 141.1 cm3; (16)Polarizability: 23.52×10-24cm3; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.913 g/cm3; (19)Flash Point: 202.3 °C; (20)Enthalpy of Vaporization: 66.33 kJ/mol; (21)Boiling Point: 410.9 °C at 760 mmHg; (22)Vapour Pressure: 5.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc2nccc(c2cc1)N
(2)InChI: InChI=1/C9H7IN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
(3)InChIKey: ANZLVKANMLYHDJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H7IN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
(5)Std. InChIKey: ANZLVKANMLYHDJ-UHFFFAOYSA-N