Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
Isoquinolin-8-ylmethanol;(Isoquinolin-8-yl)methanol;8-(Hydroxymethyl)isoquinoline; |
Article Data | 8 |
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