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CAS No.: | 129961-74-6 |
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Name: | 8-methyl-1,2,3,4-tetrahydroisoquinoline |
Molecular Structure: | |
Formula: | C10H13N |
Molecular Weight: | 147.22 |
Synonyms: | 8-Methyl-1,2,3,4-tetrahydroisoquinoline; |
Density: | 0.99 g/cm3 |
Boiling Point: | 252.3 °C at 760 mmHg |
Flash Point: | 110 °C |
PSA: | 12.03000 |
LogP: | 1.96950 |
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The chemical with CAS registry number of 129961-74-6 is known as Isoquinoline,1,2,3,4-tetrahydro-8-methyl-. The systematic name is 8-Methyl-1,2,3,4-tetrahydroisoquinoline. In addition, the formula is C10H13N and the molecular weight is 147.22.
Physical properties about Isoquinoline,1,2,3,4-tetrahydro-8-methyl- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.27; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 46.6 cm3; (11)Molar Volume: 148.5 cm3; (12)Surface Tension: 36 dyne/cm; (13)Density: 0.99 g/cm3; (14)Flash Point: 110 °C; (15)Enthalpy of Vaporization: 48.97 kJ/mol; (16)Boiling Point: 252.3 °C at 760 mmHg; (17)Vapour Pressure: 0.0195 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Cc2cccc1CCNCc12
2. InChI: InChI=1/C10H13N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h2-4,11H,5-7H2,1H3
3. InChIKey: UFUSUNKYIGBDOI-UHFFFAOYAL
4. Std. InChI: InChI=1S/C10H13N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h2-4,11H,5-7H2,1H3
5. Std. InChIKey: UFUSUNKYIGBDOI-UHFFFAOYSA-N