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| CAS No.: | 179873-36-0 |
|---|---|
| Name: | N-METHYL-N-(QUINOLIN-6-YLMETHYL)AMINE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C11H12N2 |
| Molecular Weight: | 172.23 |
| Synonyms: | N-Methyl-1-(6-quinolinyl)methanamine; |
| Density: | 1.087 g/cm3 |
| Boiling Point: | 297.9 °C at 760 mmHg |
| Flash Point: | 134 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | C:Corrosive; ">  C:Corrosive; |
| Safety: | 23-26-36/37/39-45 |
| PSA: | 24.92000 |
| LogP: | 2.34510 |
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Specification
This chemical is called 6-Quinolinemethanamine, N-methyl-, and its CAS registry number is 179873-36-0. With the molecular formula of C11H12N2, its molecular weight is 172.23.
Other characteristics of the 6-Quinolinemethanamine, N-methyl- can be summarised as followings: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 55.33 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 21.93×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.087 g/cm3; (19)Flash Point: 134 °C; (20)Enthalpy of Vaporization: 53.78 kJ/mol; (21)Boiling Point: 297.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00131 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1cccc2cc(ccc12)CNC
2.InChI: InChI=1/C11H12N2/c1-12-8-9-4-5-11-10(7-9)3-2-6-13-11/h2-7,12H,8H2,1H3
3.InChIKey: IIPNTNDPIZNFRU-UHFFFAOYAD