Ethyl isoquinoline-3-carboxylate supplier

Name
Ethyl isoquinoline-3-carboxylate
EINECS
CAS No. 50458-79-2
Article Data3
CAS DataBase
Density 1.176 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO₂
Boiling Point 355.52 °C at 760 mmHg
Molecular Weight 201.225
Flash Point 168.813 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 3-isoquinolinecarboxylate;Ethyl isoquinolin-3-carboxylate;
PSA 39.19000
LogP 2.41150

Ethyl isoquinoline-3-carboxylate Specification

The CAS register number of Ethyl isoquinoline-3-carboxylate is 50458-79-2. It also can be called as Ethyl 3-isoquinolinecarboxylate. The molecular formula about this chemical is C₁₂H₁₁NO₂ and the molecular weight is 201.22.

Physical properties about Ethyl isoquinoline-3-carboxylate are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 31; (5)ACD/BCF (pH 7.4): 31; (6)ACD/KOC (pH 5.5): 406; (7)ACD/KOC (pH 7.4): 407; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 39.19 Å²; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 58.593 cm³; (13)Molar Volume: 171.173 cm³; (14)Polarizability: 23.228x10^-24cm³; (15)Surface Tension: 47.718 dyne/cm; (16)Density: 1.176 g/cm³; (17)Flash Point: 168.813 °C; (18)Enthalpy of Vaporization: 60.068 kJ/mol; (19)Boiling Point: 355.52 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ncc1ccccc1c2
(2)InChI: InChI=1/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3
(3)InChIKey: IFSCYCNNAIADLI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3
(5)Std. InChIKey: IFSCYCNNAIADLI-UHFFFAOYSA-N

Product Name

Ethyl isoquinoline-3-carboxylate

Ethyl isoquinoline-3-carboxylate Specification

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