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5-Isoquinolinemethanol

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Name

5-Isoquinolinemethanol

EINECS N/A
CAS No. 76518-57-5 Density 1.218 g/cm3
PSA 33.12000 LogP 1.72710
Solubility N/A Melting Point N/A
Formula C10H9NO Boiling Point 352.3 °C at 760 mmHg
Molecular Weight 159.1846 Flash Point 166.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76518-57-5 (5-HYDROXYMETHYLISOQUINOLINE) Hazard Symbols N/A
Synonyms

Isoquinolin-8-ylmethanol;(Isoquinolin-8-yl)methanol;8-(Hydroxymethyl)isoquinoline;

Article Data 8

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

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