Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate supplier

Name
Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
EINECS
CAS No. 220247-50-7
Article Data6
CAS DataBase
Density 1.124 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₂
Boiling Point 330.171 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 153.482 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 1,2,3,4-Tetrahydroisoquinoline-7-Carboxylate
PSA 38.33000
LogP 1.44770

Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate 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

Product Name

Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate

Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate Specification

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