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7637-27-6

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Basic Information
CAS No.: 7637-27-6
Name: 6-Cinnolinamine(9CI)
Molecular Structure:
Molecular Structure of 7637-27-6 (6-Cinnolinamine(9CI))
Formula: C8H7N3
Molecular Weight: 145.1613
Synonyms: cinnolin-6-amine;
Density: 1.293 g/cm3
Melting Point: 201-202ºC
Boiling Point: 359.807 °C at 760 mmHg
Flash Point: 198.768 °C
PSA: 51.80000
LogP: 1.79320
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Specification

The CAS register number of 6-Cinnolinamine(9CI) is 7637-27-6. The IUPAC name about this chemical is cinnolin-6-amine. The molecular formula about this chemical is C8H7N3 and the molecular weight is 145.1613. It belongs to the following product category which includes Isoquinoline.

Physical properties about 6-Cinnolinamine(9CI) are: (1)ACD/LogP: 0.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 25; (5)ACD/KOC (pH 7.4): 27; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 51.8 Å2; (10)Index of Refraction: 1.724; (11)Molar Refractivity: 44.514 cm3; (12)Molar Volume: 112.277 cm3; (13)Polarizability: 17.647x10-24cm3; (14)Surface Tension: 70.41 dyne/cm; (15)Density: 1.293 g/cm3; (16)Flash Point: 198.768 °C; (17)Enthalpy of Vaporization: 60.545 kJ/mol; (18)Boiling Point: 359.807 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(ccnn2)cc1N
(2)InChI: InChI=1/C8H7N3/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H,9H2
(3)InChIKey: DYUQXKXLJOIFPP-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H7N3/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H,9H2
(5)Std. InChIKey: DYUQXKXLJOIFPP-UHFFFAOYSA-N