Product Name

2-Amino-6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Specification

The 2-Amino-6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid, with the CAS registry number 923010-68-8, is also known as TC-064569. This chemical's molecular formula is C13H18N2O4S and molecular weight is 298.35802. Its IUPAC name is called 2-amino-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Physical properties of 2-Amino-6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): 1.323; (3)ACD/BCF (pH 5.5): 4.408; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 70.43; (6)ACD/KOC (pH 7.4): 1.405; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.615; (11)Molar Refractivity: 76.359 cm3; (12)Molar Volume: 218.795 cm3; (13)Surface Tension: 62.13 dyne/cm; (14)Density: 1.364 g/cm3; (15)Flash Point: 251.711 °C; (16)Enthalpy of Vaporization: 79.995 kJ/mol; (17)Boiling Point: 492.592 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C(=O)O)N
(2)InChI: InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(18)15-5-4-7-8(6-15)20-10(14)9(7)11(16)17/h4-6,14H2,1-3H3,(H,16,17)
(3)InChIKey: YNNBGBZGUCLCAC-UHFFFAOYSA-N

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