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Cas Database |
| Name |
1,2,3,6-Tetrahydro-1-[(1R)-1-phenylethyl]-4-[4-(phenylmethoxy)phenyl]pyridine |
EINECS | N/A |
| CAS No. | 257928-43-1 | Density | 1.109 g/cm3 |
| PSA | 12.47000 | LogP | 6.05380 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H27NO | Boiling Point | 507.449 °C at 760 mmHg |
| Molecular Weight | 369.50 | Flash Point | 146.619 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2,3,6-Tetrahydro-1-[(1R)-1-phenylethyl]-4-[4-(phenylmethoxy)phenyl]pyridine; |
Article Data | 3 |
1,2,3,6-Tetrahydro-1-[(1R)-1-phenylethyl]-4-[4-(phenylmethoxy)phenyl]pyridine Specification
The cas register number of 1,2,3,6-Tetrahydro-1-[(1R)-1-phenylethyl]-4-[4-(phenylmethoxy)phenyl]pyridine is 257928-43-1. It also can be called as Pyridine,1,2,3,6-tetrahydro-1-[(1R)-1-phenylethyl]-4-[4-(phenylmethoxy)phenyl]- and the Systematic name about this chemical is 4-[4-(benzyloxy)phenyl]-1-[(1R)-1-phenylethyl]-1,2,3,6-tetrahydropyridine.
Physical properties about 1,2,3,6-Tetrahydro-1-[(1R)-1-phenylethyl]-4-[4-(phenylmethoxy)phenyl]pyridine are: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 62; (6)ACD/BCF (pH 7.4): 3143; (7)ACD/KOC (pH 5.5): 149; (8)ACD/KOC (pH 7.4): 7509; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 115.637 cm3; (14)Molar Volume: 333.247 cm3; (15)Polarizability: 45.842x10-24cm3; (16)Surface Tension: 46.257 dyne/cm; (17)Enthalpy of Vaporization: 77.756 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c3ccc(/C2=C/CN([C@@H](c1ccccc1)C)CC2)cc3)Cc4ccccc4
(2)InChI: InChI=1/C26H27NO/c1-21(23-10-6-3-7-11-23)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-22-8-4-2-5-9-22/h2-16,21H,17-20H2,1H3/t21-/m1/s1
(3)InChIKey: ZXINDPIOCYKBQG-OAQYLSRUBG
(4)Std. InChI: InChI=1S/C26H27NO/c1-21(23-10-6-3-7-11-23)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-22-8-4-2-5-9-22/h2-16,21H,17-20H2,1H3/t21-/m1/s1
(5)Std. InChIKey: ZXINDPIOCYKBQG-OAQYLSRUSA-N
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