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| CAS No.: | 71881-80-6 |
|---|---|
| Name: | 3-AMINO-2-METHYLQUINOLINE-4-CARBOXYLIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H10N2O2 |
| Molecular Weight: | 202.213 |
| Synonyms: | Cinchoninicacid, 3-amino-2-methyl- (6CI);3-Amino-2-methyl-4-quinolinecarboxylic acid; |
| Density: | 1.367 g/cm3 |
| Melting Point: | 204 °C |
| Boiling Point: | 378.6 °C at 760 mmHg |
| Flash Point: | 182.7 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 36/37/39-26 |
| PSA: | 76.21000 |
| LogP: | 2.40480 |
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- Total:19 Page 1 of 1 1
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Specification
This chemical is called 4-Quinolinecarboxylic acid, 3-amino-2-methyl-, and its systematic name is 3-Amino-2-methylquinoline-4-carboxylic acid. With the molecular formula of C11H10N2O2, its molecular weight is 202.21. The CAS registry number of this chemical is 71881-80-6. Additionally, its product categories are Quinoline & Isoquinoline; Amino Acid.
Other characteristics of the 4-Quinolinecarboxylic acid, 3-amino-2-methyl- can be summarised as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.67; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 58.17 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 23.06×10-24cm3; (17)Surface Tension: 72.1 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 182.7 °C; (20)Enthalpy of Vaporization: 66.08 kJ/mol; (21)Boiling Point: 378.6 °C at 760 mmHg; (22)Vapour Pressure: 2.1E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c2ccccc2nc(c1N)C
2.InChI: InChI=1/C11H10N2O2/c1-6-10(12)9(11(14)15)7-4-2-3-5-8(7)13-6/h2-5H,12H2,1H3,(H,14,15)
3.InChIKey: UOHNIVJCDQGCCY-UHFFFAOYAE