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185057-00-5

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Basic Information
CAS No.: 185057-00-5
Name: METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLATE
Article Data: 6
Molecular Structure:
Molecular Structure of 185057-00-5 (METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLATE)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: 1,2,3,4-Tetrahydroisoquinoline-6-carboxylicacid methyl ester;Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;
Density: 1.123 g/cm3
Boiling Point: 330.2 °C at 760 mmHg
Flash Point: 153.5 °C
Risk Codes: 25-36/37/38
Safety: 26-45
PSA: 38.33000
LogP: 1.44770
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Specification

The 1,2,3,4-Tetrahydroisoquinoline-6-carboxylicacid methyl ester, with the CAS registry number 185057-00-5, has the molecular formula C11H13NO2. Besides, its molecular weight is 191.2264. Its systematic name is called methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate.

Physical properties of 1,2,3,4-Tetrahydroisoquinoline-6-carboxylicacid methyl ester: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 7.4): 0.03; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.541; (7)Molar Refractivity: 53.54 cm3; (8)Molar Volume: 170.1 cm3; (9)Surface Tension: 41.1 dyne/cm; (10)Density: 1.123 g/cm3; (11)Flash Point: 153.5 °C; (12)Enthalpy of Vaporization: 57.27 kJ/mol; (13)Boiling Point: 330.2 °C at 760 mmHg; (14)Vapour Pressure: 0.000169 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc2c(c1)CCNC2
(2)InChI: InChI=1/C11H13NO2/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9/h2-3,6,12H,4-5,7H2,1H3
(3)InChIKey: QFGFDECCVRJKHK-UHFFFAOYAO