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3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)- (103733-66-0)

Identification
Name:3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)-
Synonyms:3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, (S)-;6,7-Dimethoxy-L-1,2,3,4-tetrahydroisoquinoline 3-carboxylic acid hydrochloride;6,7-Dimethoxy-L-1,2,3,4-tetrahydroisoquinoline 3-carboxylic acid;3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)-;(3S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
CAS:103733-66-0
Molecular Formula: C12H15NO4
Molecular Weight: 273.71
InChI: InChI=1/C12H15NO4.ClH/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2;/h4-5,9,13H,3,6H2,1-2H3,(H,14,15);1H
Molecular Structure: (C12H15NO4) 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, (S)-;6,7-Dimethoxy-L-1,2,3,4-tetrah...
Properties
Density:1.232 g/cm3
Specification:

The cas register number of (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride is 103733-66-0. It also can be called as 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)- and the IUPAC Name about this chemical is (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate.

Physical properties about (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride are: (1)ACD/LogP: 0.60; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 48Å2; (10)Index of Refraction: 1.548; (11)Molar Refractivity: 61.23 cm3; (12)Molar Volume: 192.5 cm3; (13)Polarizability: 24.27x10-24cm3; (14)Surface Tension: 44.8 dyne/cm; (15)Enthalpy of Vaporization: 72.83 kJ/mol; (16)Vapour Pressure: 2.49E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2NCc1cc(OC)c(OC)cc1C2
(2)InChI: InChI=1/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15)/t9-/m0/s1
(3)InChIKey: BWYXEHBJIMGDEB-VIFPVBQEBO
(4)Std. InChI: InChI=1S/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15)/t9-/m0/s1
(5)Std. InChIKey: BWYXEHBJIMGDEB-VIFPVBQESA-N

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