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| CAS No.: | 18000-24-3 |
|---|---|
| Name: | 7-CHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID HCL |
| Molecular Structure: | |
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| Formula: | C10H6ClNO3 |
| Molecular Weight: | 223.616 |
| Synonyms: | Kynurenicacid, 7-chloro- (6CI);Quinaldic acid, 7-chloro-4-hydroxy- (8CI);7-Chloro-4-hydroxyquinaldic acid;7-Chlorokynurenic acid;7-Chloroquinurenicacid;NSC 149792; |
| EINECS: | 241-913-6 |
| Density: | 1.549 g/cm3 |
| Melting Point: | 277-278 °C (decomp) |
| Boiling Point: | 395 °C at 760 mmHg |
| Flash Point: | 192.7 °C |
| Appearance: | White to yellowish powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 70.42000 |
| LogP: | 2.29200 |
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Specification
This chemical is called 2-Quinolinecarboxylicacid, 7-chloro-4-hydroxy-, and its IUPAC name is 7-Chloro-4-hydroxyquinoline-2-carboxylic acid. With the molecular formula of C10H6ClNO3, its molecular weight is 223.61. The CAS registry number of this chemical is 18000-24-3. It's selective antagonist at the glycine modulatory site of the N-methyl-D-aspartate receptor complex.
Other characteristics of the 2-Quinolinecarboxylicacid, 7-chloro-4-hydroxy- can be summarised as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.27; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 52.5 cm3; (15)Molar Volume: 144.2 cm3; (16)Polarizability: 20.81×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.549 g/cm3; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 68.04 kJ/mol; (21)Boiling Point: 395 °C at 760 mmHg; (22)Vapour Pressure: 6E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc2c(c1)NC(=C\C2=O)/C(=O)O
2.InChI: InChI=1/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
3.InChIKey: UAWVRVFHMOSAPU-UHFFFAOYAJ