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CAS No.: | 75626-12-9 |
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Name: | 4-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C15H15N |
Molecular Weight: | 209.291 |
Synonyms: | 4-Phenyl-1,2,3,4-tetrahydro-isoquinoline; |
Density: | 1.065 g/cm3 |
Boiling Point: | 344 °C at 760 mmHg |
Flash Point: | 171.2 °C |
PSA: | 12.03000 |
LogP: | 4.05250 |
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The chemical with CAS registry number of 75626-12-9 is known as Isoquinoline,1,2,3,4-tetrahydro-4-phenyl-. The systematic name is 4-Phenyl-1,2,3,4-tetrahydro-isoquinoline. In addition, the formula is C15H15N and the molecular weight is 209.29.
Physical properties about Isoquinoline,1,2,3,4-tetrahydro-4-phenyl- are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): -0.1; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.55; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.8; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 66.21 cm3; (13)Molar Volume: 196.4 cm3; (14)Surface Tension: 41.8 dyne/cm; (15)Density: 1.065 g/cm3; (16)Flash Point: 171.2 °C; (17)Enthalpy of Vaporization: 58.79 kJ/mol; (18)Boiling Point: 344 °C at 760 mmHg; (19)Vapour Pressure: 6.8E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: c1ccc2c(c1)CNCC2c3ccccc3
2. InChI: InChI=1/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2
3. InChIKey: OSZMNJRKIPAVOS-UHFFFAOYAR
4. Std. InChI: InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2
5. Std. InChIKey: OSZMNJRKIPAVOS-UHFFFAOYSA-N