Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester |
EINECS | N/A |
CAS No. | 511230-72-1 | Density | 1.451 g/cm3 |
PSA | 38.33000 | LogP | 2.48680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12BrNO2 | Boiling Point | 361.1 °C at 760 mmHg |
Molecular Weight | 270.12 | Flash Point | 172.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 6 |
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