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tert-Butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate

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Name

tert-Butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate

EINECS N/A
CAS No. 179060-28-7 Density 1.131 g/cm3
PSA 42.68000 LogP 2.51070
Solubility N/A Melting Point N/A
Formula C12H17NO3 Boiling Point 309.5 °C at 760 mmHg
Molecular Weight 223.272 Flash Point 141 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 179060-28-7 (TERT-BUTYL 4,7-DIHYDROFURO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE) Hazard Symbols N/A
Synonyms

Furo[2,3-c]pyridine-6(5H)-carboxylic acid, 4,7-dihydro-, 1,1-dimethylethyl ester;

 

tert-Butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate Specification

The tert-Butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate, with the CAS registry number 179060-28-7, is also known as Furo[2,3-c]pyridine-6(5H)-carboxylic acid, 4,7-dihydro-, 1,1-dimethylethyl ester. This chemical's molecular formula is C12H17NO3 and molecular weight is 223.2683. Its systematic name is called tert-butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate.

Physical properties of tert-Butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.42; (5)ACD/BCF (pH 7.4): 23.42; (6)ACD/KOC (pH 5.5): 332.63; (7)ACD/KOC (pH 7.4): 332.63; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.511; (11)Molar Refractivity: 59.1 cm3; (12)Molar Volume: 197.3 cm3; (13)Surface Tension: 40 dyne/cm; (14)Density: 1.131 g/cm3; (15)Flash Point: 141 °C; (16)Enthalpy of Vaporization: 55.03 kJ/mol; (17)Boiling Point: 309.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000636 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCc1c(occ1)C2
(2)InChI: InChI=1/C12H17NO3/c1-12(2,3)16-11(14)13-6-4-9-5-7-15-10(9)8-13/h5,7H,4,6,8H2,1-3H3
(3)InChIKey: AAPUUGDFHOCKDP-UHFFFAOYAZ

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