5-Methoxyisoquinoline supplier

Name
5-methoxyisoquinoline
EINECS -0
CAS No. 90806-58-9
Article Data23
CAS DataBase
Density 1.131 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO
Boiling Point 295.593 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 108.428 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methoxyisoquinoline;
PSA 22.12000
LogP 2.24340

5-Methoxyisoquinoline Specification

The 5-Methoxyisoquinoline, with the cas registry number 90806-58-9, is a kind of organic, and should be stored in the dry and cool environment. The molecular formula of the chemical is C₁₀H₉NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 175; (8)ACD/KOC (pH 7.4): 247; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 48.865 cm³; (15)Molar Volume: 140.775 cm³; (16)Polarizability: 19.372×10^-24cm³; (17)Surface Tension: 43.689 dyne/cm; (18)Density: 1.131 g/cm³; (19)Flash Point: 108.428 °C; (20)Enthalpy of Vaporization: 51.388 kJ/mol; (21)Boiling Point: 295.593 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc2cccc1cnccc12
(2)InChI: InChI=1/C10H9NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-7H,1H3
(3)InChIKey: NRQNEMBSIAIKFB-UHFFFAOYAH

Product Name

5-methoxyisoquinoline

5-Methoxyisoquinoline Specification

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