1H-Pyrido[3,4-b]indole-1-carboxylicacid, 2,3,4,9-tetrahydro-6-methoxy- (17952-63-5)

The 6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-1-carboxylic acid, with CAS registry number 17952-63-5, has the systematic name of 6-methoxy-2,3,4,9-tetrahydro-1H-β-carboline-1-carboxylic acid. And its IUPAC name is (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid. This chemical should be stored in cool, dry place.

Physical properties of 6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-1-carboxylic acid: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (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): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.7 Å²; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 66.83 cm³; (13)Molar Volume: 180.9 cm³; (14)Polarizability: 26.49×10^-24cm³; (15)Surface Tension: 61 dyne/cm; (16)Enthalpy of Vaporization: 84.08 kJ/mol; (17)Vapour Pressure: 7.7E-12 mmHg at 25°C.

Uses of 6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-1-carboxylic acid: it can be used to produce 1-carbomethoxy-6-methoxy-1,2,3,4-tetrahydro-b-carboline hydrochloride. This reaction will need reagent HCl. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C3c2nc1c(cc(OC)cc1)c2CCN3
(2)InChI: InChI=1/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
(3)InChIKey: GHEBCEHFQAHKRP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
(5)Std. InChIKey: GHEBCEHFQAHKRP-UHFFFAOYSA-N