Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Isoquinolinemethanol |
EINECS | N/A |
CAS No. | 76884-34-9 | Density | 1.219 g/cm3 |
PSA | 33.12000 | LogP | 1.72710 |
Solubility | N/A | Melting Point |
81ºC |
Formula | C10H9NO | Boiling Point | 335.105 °C at 760 mmHg |
Molecular Weight | 159.188 | Flash Point | 156.466 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(Hydroxymethyl)isoquinoline;Isoquinolin-3-ylmethanol; |
Article Data | 5 |
The CAS register number of 3-Isoquinolinemethanol is 76884-34-9. It also can be called as 3-(Hydroxymethyl)isoquinoline and the systematic name about this chemical is isoquinolin-3-ylmethanol. The molecular formula about this chemical is C10H9NO and the molecular weight is 159.18756.
Physical properties about 3-Isoquinolinemethanol are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 58; (7)ACD/KOC (pH 7.4): 63; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 33.12 Å2; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 48.638 cm3; (14)Molar Volume: 130.589 cm3; (15)Polarizability: 19.282x10-24cm3; (16)Surface Tension: 56.985 dyne/cm; (17)Density: 1.219 g/cm3; (18)Flash Point: 156.466 °C; (19)Enthalpy of Vaporization: 61.022 kJ/mol; (20)Boiling Point: 335.105 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc2ccccc2cn1
(2)InChI: InChI=1/C10H9NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-6,12H,7H2
(3)InChIKey: CMGQQHGOFWZGJH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H9NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-6,12H,7H2
(5)Std. InChIKey: CMGQQHGOFWZGJH-UHFFFAOYSA-N