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

Name
1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid ethyl ester
EINECS
CAS No. 106181-28-6
Article Data6
CAS DataBase
Density 1.101 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 313.4 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 143.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl1,2,3,4-tetrahydro-1-isoquinolinecarboxylate;
PSA 38.33000
LogP 1.76530

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

Product Name

1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid ethyl ester

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

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