3-Isoquinolinemethanol supplier

Name
isoquinolin-3-ylmethanol
EINECS
CAS No. 76884-34-9
Article Data5
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point 81ºC
Formula C₁₀H₉NO
Boiling Point 335.105 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 156.466 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Hydroxymethyl)isoquinoline;Isoquinolin-3-ylmethanol;
PSA 33.12000
LogP 1.72710

3-Isoquinolinemethanol Specification

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

Product Name

isoquinolin-3-ylmethanol

3-Isoquinolinemethanol Specification

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