5-Isoquinolinemethanol supplier

Name
5-HYDROXYMETHYLISOQUINOLINE
EINECS
CAS No. 76518-57-5
Article Data8
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO
Boiling Point 352.3 °C at 760 mmHg
Molecular Weight 159.1846
Flash Point 166.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoquinolin-8-ylmethanol;(Isoquinolin-8-yl)methanol;8-(Hydroxymethyl)isoquinoline;
PSA 33.12000
LogP 1.72710

5-Isoquinolinemethanol Specification

The 5-Isoquinolinemethanol with CAS registry number of 76518-57-5 is also called 8-(Hydroxymethyl)isoquinoline. The IUPAC name is isoquinolin-8-ylmethanol. In addition, the formula is C₁₀H₉NO and the molecular weight is 159.184.

Physical properties about 5-Isoquinolinemethanol are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 1.55; (6)ACD/BCF (pH 7.4): 2.26; (7)ACD/KOC (pH 5.5): 42.57; (8)ACD/KOC (pH 7.4): 62.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 48.63 cm³; (15)Molar Volume: 130.5 cm³; (16)Polarizability: 19.28 ×10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.218 g/cm³; (19)Flash Point: 166.9 °C; (20)Enthalpy of Vaporization: 63.01 kJ/mol; (21)Boiling Point: 352.3 °C at 760 mmHg; (22)Vapour Pressure: 1.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cccc2ccncc12
(2)InChI: InChI=1/C10H9NO/c12-7-9-3-1-2-8-4-5-11-6-10(8)9/h1-6,12H,7H2
(3)InChIKey: UDNDYRZGZAWJHB-UHFFFAOYAQ

Product Name

5-HYDROXYMETHYLISOQUINOLINE

5-Isoquinolinemethanol Specification

Related Products

Hot Products