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| CAS No.: | 62882-01-3 |
|---|---|
| Name: | 5-Methylisoquinoline |
| Molecular Structure: | |
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| Formula: | C10H9N |
| Molecular Weight: | 143.188 |
| Synonyms: | 5-Methylisoquinoline |
| EINECS: | 263-748-9 |
| Density: | 1.076 g/cm3 |
| Melting Point: | 47-48 °C |
| Boiling Point: | 270 °C at 760 mmHg |
| Flash Point: | 114.5 °C |
| PSA: | 12.89000 |
| LogP: | 2.54320 |
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Specification
This chemical is called 5-Methylisoquinoline, and it can also be named as isoquinoline, 5-methyl-. With the molecular formula of C10H9N, its molecular weight is 143.18. The CAS registry number of this chemical is 62882-01-3, and its product category is Isoquinoline Derivertives.
Other characteristics of the 5-Methylisoquinoline can be summarised as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 19.38; (6)ACD/BCF (pH 7.4): 39.89; (7)ACD/KOC (pH 5.5): 235.65; (8)ACD/KOC (pH 7.4): 485.12; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 47.01 cm3; (15)Molar Volume: 133 cm3; (16)Polarizability: 18.63×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 114.5 °C; (20)Enthalpy of Vaporization: 48.77 kJ/mol; (21)Boiling Point: 270 °C at 760 mmHg; (22)Vapour Pressure: 0.0117 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2ccc1c(cccc1C)c2
2.InChI: InChI=1/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-7H,1H3
3.InChIKey: QHRZMGDJNNDMGZ-UHFFFAOYAQ