4-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester supplier

Name
ETHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLATE
EINECS
CAS No. 46389-19-9
Density 1.101 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 313.361 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 143.316 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 1,2,3,4-tetrahydroisoquinoline-4-carboxylate;1,2,3,4-Tetrahydro-isoquinoline-4-carboxylic acid ethyl ester;
PSA 38.33000
LogP 1.76530

4-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester Specification

The 4-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester, with the CAS registry number 46389-19-9, is also known as 1,2,3,4-Tetrahydro-isoquinoline-4-carboxylic acid ethyl ester. The molecular formula of this chemical is C₁₂H₁₅NO₂ and molecular weight is 205.253. Its systematic name is Ethyl 1,2,3,4-tetrahydroisoquinoline-4-carboxylate. What's more, it should be stored in condition of cold and dry.

Physical properties about 4-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester are: (1)ACD/LogP: 1.57; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 57.359 cm³; (15)Molar Volume: 186.415 cm³; (16)Polarizability: 22.739×10^-24cm³; (17)Surface Tension: 38.539 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 143.316 °C; (20)Enthalpy of Vaporization: 55.443 kJ/mol; (21)Boiling Point: 313.361 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C2CNCc1ccccc12
(2) InChI: InChI=1/C12H15NO2/c1-2-15-12(14)11-8-13-7-9-5-3-4-6-10(9)11/h3-6,11,13H,2,7-8H2,1H3
(3) InChIKey: QLBZGDODJLORLZ-UHFFFAOYAH

Product Name

ETHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLATE

4-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester Specification

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