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Name |
Isoquinoline,1,2,3,4-tetrahydro-1-(4-pyridinyl)- |
EINECS | N/A |
CAS No. | 180272-43-9 | Density | 1.108 g/cm3 |
PSA | 24.92000 | LogP | 2.64550 |
Solubility | N/A | Melting Point |
122-124°C |
Formula | C14H14N2 | Boiling Point | 352.9 °C at 760 mmHg |
Molecular Weight | 210.27 | Flash Point | 167.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
IFLAB-BB F1921-0021;AURORA 23178;AKOS BBS-00001345;1-PYRIDIN-4-YL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;1-(PYRIDIN-4-YL)-1H,3H,4H-ISOQUINOLINE;1,2,3,4-TETRAHYDRO-1-(4-PYRIDINYL)-ISOQUINOLINE;1-(4-PYRIDYL)-1,2,3,4-TETRAHYDRO ISOQUINOLINE |
This chemical is called Isoquinoline,1,2,3,4-tetrahydro-1-(4-pyridinyl)-, and its systematic name is 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline. With the molecular formula of C14H14N2, its molecular weight is 210.27. The CAS registry number of this chemical is 180272-43-9.
Other characteristics of the Isoquinoline,1,2,3,4-tetrahydro-1-(4-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 16.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 64.31 cm3; (15)Molar Volume: 189.7 cm3; (16)Polarizability: 25.49×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.108 g/cm3; (19)Flash Point: 167.2 °C; (20)Enthalpy of Vaporization: 59.77 kJ/mol; (21)Boiling Point: 352.9 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccc(cc1)C3c2c(cccc2)CCN3
2.InChI:InChI=1/C14H14N2/c1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12/h1-6,8-9,14,16H,7,10H2
3.InChIKey: JFKYAEYYDOTEBD-UHFFFAOYAR