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Quinoline-5-methanol

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Name

Quinoline-5-methanol

EINECS N/A
CAS No. 16178-42-0 Density 1.219 g/cm3
PSA 33.12000 LogP 1.72710
Solubility N/A Melting Point 136-137 °C
Formula C10H9NO Boiling Point 334.833 °C at 760 mmHg
Molecular Weight 159.188 Flash Point 156.302 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16178-42-0 (5-HYDROXYMETHYLQUINOLINE) Hazard Symbols N/A
Synonyms

(Quinolin-5-yl)methanol;

Article Data 11

Quinoline-5-methanol Specification

The IUPAC name of Quinoline-5-methanol is quinolin-5-ylmethanol. With the CAS registry number 16178-42-0, it is also named as 5-(Hydroxymethyl)quinoline. The product's category is quinoline derivertives. Its molecular formula is C10H9NO and its molecular weight is 159.18. 

The other characteristics of Quinoline-5-methanol can be summarized as: (1)ACD/LogP: 0.90 ; (2)# of Rule of 5 Violations: 0 ; (3)H bond acceptors: 2 ; (4)H bond donors: 1 ; (5)Freely Rotating Bonds: 2 ; (6)Topological Polar Surface Area: 33.1 ; (7)Heavy Atom Count: 12 ; (8)Complexity: 149 ; (9)Index of Refraction: 1.667 ; (10)Molar Refractivity: 48.63 cm3 ; (11)Molar Volume: 130.5 cm3 ; (12)Surface Tension: 56.9 dyne/cm ; (13)Density: 1.218 g/cm3 ; (14)Flash Point: 156.3 °C ; (15)Enthalpy of Vaporization: 60.99 kJ/mol ; (16)Boiling Point: 334.8 °C at 760 mmHg ; (17)Vapour Pressure: 4.92E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OCc1cccc2ncccc12;
(2)InChI:InChI=1/C10H9NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h1-6,12H,7H2;
(3)InChIKey:ZKPMQVSVRVORAH-UHFFFAOYAH;
(4)Std. InChI:InChI=1S/C10H9NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h1-6,12H,7H2;
(5)Std. InChIKey:ZKPMQVSVRVORAH-UHFFFAOYSA-N.

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