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

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Name

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

EINECS N/A
CAS No. 106181-28-6 Density 1.101 g/cm3
PSA 38.33000 LogP 1.76530
Solubility N/A Melting Point N/A
Formula C12H15NO2 Boiling Point 313.4 °C at 760 mmHg
Molecular Weight 205.257 Flash Point 143.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 106181-28-6 (1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid ethyl ester) Hazard Symbols N/A
Synonyms

Ethyl1,2,3,4-tetrahydro-1-isoquinolinecarboxylate;

Article Data 6

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

This chemical is called 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester, and its systematic name is ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate. With the molecular formula of C12H15NO2, its molecular weight is 205.253. The CAS registry number of this chemical is 106181-28-6.

Other characteristics of the 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 49.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 57.35 cm3; (15)Molar Volume: 186.4 cm3; (16)Polarizability: 22.73×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 143.3 °C; (20)Enthalpy of Vaporization: 55.44 kJ/mol; (21)Boiling Point: 313.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000499 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C2c1c(cccc1)CCN2
2.InChI: InChI=1/C12H15NO2/c1-2-15-12(14)11-10-6-4-3-5-9(10)7-8-13-11/h3-6,11,13H,2,7-8H2,1H3
3.InChIKey: OOIVWSXZWFQHQS-UHFFFAOYAM

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