Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
DL-3-(1,2-Dihydro-2-oxo-quinoline-4-yl)alanine hydrochloride |
EINECS | 1533716-785-6 |
CAS No. | 4876-14-6 | Density | N/A |
PSA | 96.18000 | LogP | 1.98480 |
Solubility | N/A | Melting Point |
220-221 °C |
Formula | C12H11N2O3.HCl | Boiling Point | 522.7oC at 760mmHg |
Molecular Weight | 268.7 | Flash Point | 269.9oC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Quinolinepropanoic acid, a-amino-1,2-dihydro-2-oxo-,monohydrochloride (9CI);2-Amino-3-(2-quinolon-4-yl)propionic acidhydrochloride; |
Article Data | 2 |
The DL-3-(1,2-Dihydro-2-oxo-quinoline-4-yl)alanine hydrochloride with its cas register number is 4876-14-6. It also can be called as 2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propionic acid hydrochloride and the Systematic name about this chemical is 3-(2-oxo-1,2-dihydroquinolin-4-yl)alanine hydrochloride (1:1). It belongs to the Rebamipide.
Physical properties about DL-3-(1,2-Dihydro-2-oxo-quinoline-4-yl)alanine hydrochloride are: (1)ACD/LogP: 0.80 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 49.85Å2; (10)Enthalpy of Vaporization: 83.82 kJ/mol; (11)Vapour Pressure: 9.39E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C(N)CC=2c1c(cccc1)NC(=O)C=2
(2)InChI: InChI=1/C12H12N2O3.ClH/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);1H
(3)InChIKey: MPTXVJCCTVAVNL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H12N2O3.ClH/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);1H
(5)Std. InChIKey: MPTXVJCCTVAVNL-UHFFFAOYSA-N