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220247-50-7

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Basic Information
CAS No.: 220247-50-7
Name: Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
Article Data: 6
Molecular Structure:
Molecular Structure of 220247-50-7 (Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: Methyl 1,2,3,4-Tetrahydroisoquinoline-7-Carboxylate
Density: 1.124 g/cm3
Boiling Point: 330.171 °C at 760 mmHg
Flash Point: 153.482 °C
PSA: 38.33000
LogP: 1.44770
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Specification

The Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate, with the CAS registry number 220247-50-7, is also known as 7-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.2264. Its systematic name is called methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate.

Physical properties of Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.542; (11)Molar Refractivity: 53.548 cm3; (12)Molar Volume: 170.189 cm3; (13)Surface Tension: 41.193 dyne/cm; (14)Density: 1.124 g/cm3; (15)Flash Point: 153.482 °C; (16)Enthalpy of Vaporization: 57.272 kJ/mol; (17)Boiling Point: 330.171 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc2c(c1)CNCC2
(2)InChI: InChI=1/C11H13NO2/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9/h2-3,6,12H,4-5,7H2,1H3
(3)InChIKey: BTRHEGJEBOGNAU-UHFFFAOYAW