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| CAS No.: | 118864-75-8 |
|---|---|
| Name: | (1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline |
| Molecular Structure: | |
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| Formula: | C15H15N |
| Molecular Weight: | 209.291 |
| Synonyms: | Isoquinoline,1,2,3,4-tetrahydro-1-phenyl-, (S)-;(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline;(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline;Isoquinoline,1,2,3,4-tetrahydro-1-phenyl-, (1S)-;(S)-(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline; |
| EINECS: | 1806241-263-5 |
| Density: | 1.065 g/cm3 |
| Melting Point: | 80-82 °C |
| Boiling Point: | 338.4 °C at 760 mmHg |
| Flash Point: | 167 °C |
| Appearance: | white solid |
| PSA: | 12.03000 |
| LogP: | 3.25050 |
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Specification
(1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline(CAS NO.118864-75-8) is also named as (1S)-1-Phenyl-1,2,3,4-tetrahydroisochinolin; isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1S)-; (S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline. It is white solid and it belong so to API intermediates;Aromatics Compounds; Aromatics; Chiral Reagents; Heterocycles; Isotope Labeled Compounds. (1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline is used as labelled solifenacin intermediate.
Physical properties about (1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline are: (1)ACD/LogP: 3.292; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 5.78; (6)ACD/KOC (pH 5.5): 1.74; (7)ACD/KOC (pH 7.4): 45.45; (8)#H bond acceptors: 1 ; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 66.219 cm3; (13)Molar Volume: 196.48 cm3; (14)Polarizability: 26.251 10-24cm3; (15)Surface Tension: 41.8339996337891 dyne/cm; (16)Density: 1.065 g/cm3; (17)Flash Point: 166.926 °C; (18)Enthalpy of Vaporization: 58.17 kJ/mol; (19)Boiling Point: 338.355 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)SMILES:c1ccc3c(c1)C(c2ccccc2)NCC3;
(2)Std. InChI:InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2;
(3)Std. InChIKey:PRTRSEDVLBBFJZ-UHFFFAOYSA-N