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1,2,3,4-Tetrahydroisoquinoline-3-methanol

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Name

1,2,3,4-Tetrahydroisoquinoline-3-methanol

EINECS N/A
CAS No. 63006-93-9 Density 1.081 g/cm3
PSA 32.26000 LogP 1.02200
Solubility Soluble in dichloromethane. Slightly soluble in water. Melting Point 180-182?C
Formula C10H13NO Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 163.22 Flash Point 147 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 63006-93-9 (1,2,3,4-Tetrahydroisoquinoline-3-methanol) Hazard Symbols Xi
Synonyms

1,2,3,4-Tetrahydro-3-isoquinolinemethanol;3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinoline;

Article Data 29

1,2,3,4-Tetrahydroisoquinoline-3-methanol Specification

The 1,2,3,4-Tetrahydroisoquinoline-3-methanol is an organic compound with the formula C10H13NO. The systematic name of this chemical is 1,2,3,4-tetrahydroisoquinolin-3-ylmethanol. With the CAS registry number 63006-93-9, it is also named as 3-isoquinolinemethanol, 1,2,3,4-tetrahydro-. The product's category is Pharmacetical.

Physical properties about 1,2,3,4-Tetrahydroisoquinoline-3-methanol are: (1)ACD/LogP: 0.84; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 12.47 Å2; (6)Index of Refraction: 1.549; (7)Molar Refractivity: 48 cm3; (8)Molar Volume: 150.8 cm3; (9)Polarizability: 19.03×10-24cm3; (10)Surface Tension: 43.4 dyne/cm; (11)Density: 1.081 g/cm3; (12)Flash Point: 147 °C; (13)Enthalpy of Vaporization: 57.92 kJ/mol; (14)Boiling Point: 307.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000305 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC2NCc1ccccc1C2
(2)InChI: InChI=1/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2
(3)InChIKey: ZSKDXMLMMQFHGW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2
(5)Std. InChIKey: ZSKDXMLMMQFHGW-UHFFFAOYSA-N

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