1-Aminoisoquinoline (1532-84-9)

The CAS register number of 1-Aminoisoquinoline is 1532-84-9. It also can be called as 1-isoquinolinamine and the IUPAC name about this chemical is isoquinolin-1-amine. The molecular formula about this chemical is C₉H₈N₂ and the molecular weight is 144.17. It belongs to the following product categories, such as Heterocyclic Series; API intermediates; Quinolines; Building Blocks; Heterocyclic Building Blocks; Isoquinolines and so on.

Physical properties about 1-Aminoisoquinoline are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): -0.01; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.91; (6)ACD/KOC (pH 5.5): 3.32; (7)ACD/KOC (pH 7.4): 111.46; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 16.13Ų; (11)Index of Refraction: 1.708; (12)Molar Refractivity: 46.42 cm³; (13)Molar Volume: 119 cm³; (14)Polarizability: 18.4x10^-24cm³; (15)Surface Tension: 59.8 dyne/cm; (16)Enthalpy of Vaporization: 56.59 kJ/mol; (17)Boiling Point: 323.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000253 mmHg at 25°C.

Uses of 1-Aminoisoquinoline: it can be used to produce 2-phenyl-imidazo[2,1-a]isoquinoline with 2-bromo-1-phenyl-ethanone at heating. This reaction is a kind of Cyclization//Tschitschibabin reaction. It will need reagent sodium carbonate and solvent dioxane, H₂O with reaction time of 22 hours. The yield is about 23%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2c(cc1)cccc2)N
(2)InChI: InChI=1/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
(3)InChIKey: OSILBMSORKFRTB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
(5)Std. InChIKey: OSILBMSORKFRTB-UHFFFAOYSA-N