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CAS No.: | 848185-12-6 |
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Name: | 7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H12BrN |
Molecular Weight: | 226.116 |
Synonyms: | 7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline; |
Density: | 1.342 g/cm3 |
Boiling Point: | 288.8 °C at 760 mmHg |
Flash Point: | 128.4 °C |
PSA: | 12.03000 |
LogP: | 2.81210 |
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The chemical with CAS registry number of 848185-12-6 is also known as Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-methyl-. The systematic name is 7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline. In addition, the formula is C10H12BrN and the molecular weight is 226.11.
Physical properties about Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-methyl- are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 7.4): 0.88; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.02; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 10.98; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)Index of Refraction: 1.556; (10)Molar Refractivity: 54.17 cm3; (11)Molar Volume: 168.4 cm3; (12)Surface Tension: 37.2 dyne/cm; (13)Density: 1.342 g/cm3; (14)Flash Point: 128.4 °C; (15)Enthalpy of Vaporization: 52.8 kJ/mol; (16)Boiling Point: 288.8 °C at 760 mmHg; (17)Vapour Pressure: 0.00229 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: CC1Cc2ccc(cc2CN1)Br
2. InChI: InChI=1/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3
3. InChIKey: ROFNCPGXJWHJIZ-UHFFFAOYAG
4. Std. InChI: InChI=1S/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3
5. Std. InChIKey: ROFNCPGXJWHJIZ-UHFFFAOYSA-N