1-Isoquinolinemethanol supplier

Name
1-Isoquinolinemethanol
EINECS
CAS No. 27311-63-3
Article Data17
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point 80ºC
Formula C₁₀H₉NO
Boiling Point 335.1 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 156.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 1-Isoquinolinylmethanol;isoquinolin-1-ylmethanol;
PSA 33.12000
LogP 1.72710

1-Isoquinolinemethanol Specification

The 1-Isoquinolinemethanol, with the CAS registry number 27311-63-3, has the systematic name of isoquinolin-1-ylmethanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₉NO.

The characteristics of 1-Isoquinolinemethanol are as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.02; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 55.66; (8)ACD/KOC (pH 7.4): 62.64; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 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: 156.5 °C; (20)Enthalpy of Vaporization: 61.02 kJ/mol; (21)Boiling Point: 335.1 °C at 760 mmHg; (22)Vapour Pressure: 4.82E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc2nccc1ccccc12
(2)InChI: InChI=1/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2
(3)InChIKey: HQABEHZXAJHCLV-UHFFFAOYAA

Product Name

1-Isoquinolinemethanol

1-Isoquinolinemethanol Specification

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