2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester supplier

Name
6-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 511230-72-1
Article Data6
CAS DataBase
Density 1.451 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂BrNO₂
Boiling Point 361.1 °C at 760 mmHg
Molecular Weight 270.12
Flash Point 172.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromo-2-methoxycarbonyl-1,2,3,4-tetrahydroquinoline;Methyl 6-bromo-1,2,3,4-tetrahydro-2-quinolinecarboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic;6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylicacid methyl ester;
PSA 38.33000
LogP 2.48680

2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester Specification

The 2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester, with the CAS registry number 511230-72-1, has the systematic name of methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate. It belongs to the product category of Organic acids. And the molecular formula of the chemical is C₁₁H₁₂BrNO₂.

The characteristics of 2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.15; (6)ACD/BCF (pH 7.4): 76.19; (7)ACD/KOC (pH 5.5): 773.44; (8)ACD/KOC (pH 7.4): 773.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 60.41 cm³; (15)Molar Volume: 186 cm³; (16)Polarizability: 23.95×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 172.2 °C; (20)Enthalpy of Vaporization: 60.69 kJ/mol; (21)Boiling Point: 361.1 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc2c(c1)CCC(C(=O)OC)N2
(2)InChI: InChI=1/C11H12BrNO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10/h3,5-6,10,13H,2,4H2,1H3
(3)InChIKey: AUAAQBWEOAMYGG-UHFFFAOYAA

Product Name

6-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER

2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester Specification

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