4-Isoquinolinemethanol supplier

Name
(isoquinolin-4-yl)methanol
EINECS
CAS No. 73048-60-9
Article Data5
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point 166 °C
Formula C₁₀H₉NO
Boiling Point 358.37 °C at 760 mmHg
Molecular Weight 159.184560
Flash Point 170.536 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Isoquinolin-4-yl)methanol;
PSA 33.12000
LogP 1.72710

4-Isoquinolinemethanol Specification

The 4-Isoquinolinemethanol, with the CAS registry number of 73048-60-9, is also known as (Isoquinolin-4-yl)methanol. Its molecular formula is C₁₀H₉NO and molecular weight is 159.184560. What's more, its IUPAC name is Isoquinolin-4-ylmethanol.

Physical properties about the 4-Isoquinolinemethanol are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 48; (8)ACD/KOC (pH 7.4): 63; (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: 48.638 cm³; (15)Molar Volume: 130.589 cm³; (16)Surface Tension: 56.985 dyne/cm; (17)Density: 1.219 g/cm³; (18)Flash Point: 170.536 °C; (19)Enthalpy of Vaporization: 63.716 kJ/mol; (20)Boiling Point: 358.37 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc2cncc1ccccc12
(2) InChI: InChI=1/C10H9NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-6,12H,7H2
(3) InChIKey: QWTIYWBQFLATTN-UHFFFAOYAG

Product Name

(isoquinolin-4-yl)methanol

4-Isoquinolinemethanol Specification

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