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74022-33-6

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Basic Information
CAS No.: 74022-33-6
Name: 2-AMINO-6-ISOPROPYL-4,5,6,7-TETRAHYDRO-THIENO-[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Article Data: 2
Molecular Structure:
Molecular Structure of 74022-33-6 (2-AMINO-6-ISOPROPYL-4,5,6,7-TETRAHYDRO-THIENO-[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER)
Formula: C13H20N2O2S
Molecular Weight: 268.38
Synonyms: 2-Amino-6-isopropyl-4,5,6,7-tetrahydro-thieno-[2,3-c]pyridine-3-carboxylic acid ethyl ester;ethyl 2-amino-6-(methylethyl)-4,5,6,7-tetrahydrothiopheno[2,3-c]pyridine-3-carboxylate;Ethyl 2-amino-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;
Density: 1.189 g/cm3
Boiling Point: 421.8 °C at 760 mmHg
Flash Point: 208.9 °C
Hazard Symbols: IrritantXi
PSA: 83.80000
LogP: 2.79260
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Specification

The Thieno[2,3-c]pyridine-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)-, ethyl ester, with the CAS registry number 74022-33-6, is also known as Ethyl 2-amino-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate. It belongs to the product category of Thiophene. This chemical's molecular formula is C13H20N2O2S and molecular weight is 268.38. What's more, its systematic name is ethyl 2-amino-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate. 

Physical properties of Thieno[2,3-c]pyridine-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)-, ethyl ester are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 61.02 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 74.88 cm3; (9)Molar Volume: 225.5 cm3; (10)Polarizability: 29.68×10-24 cm3; (11)Surface Tension: 47.9 dyne/cm; (12)Density: 1.189 g/cm3; (13)Flash Point: 208.9 °C; (14)Enthalpy of Vaporization: 67.59 kJ/mol; (15)Boiling Point: 421.8 °C at 760 mmHg; (16)Vapour Pressure: 2.53E-07 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCC)c1c2c(sc1N)CN(CC2)C(C)C
(2)InChI: InChI=1/C13H20N2O2S/c1-4-17-13(16)11-9-5-6-15(8(2)3)7-10(9)18-12(11)14/h8H,4-7,14H2,1-3H3
(3)InChIKey: WUZZPOSWQLVCIR-UHFFFAOYAN