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Cas Database |
| Name |
5-Chloro-1,2,3,4-tetrahydroisoquinoline |
EINECS | -0 |
| CAS No. | 73075-43-1 | Density | 1.162g/cm3 |
| PSA | 12.03000 | LogP | 3.11650 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H10ClN | Boiling Point | 276.477 °C at 760 mmHg |
| Molecular Weight | 167.638 | Flash Point | 121.009 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Chloro-1,2,3,4-tetrahydroisoquinoline;C90102; |
Article Data | 4 |
5-Chloro-1,2,3,4-tetrahydroisoquinoline Specification
The 5-Chloro-1,2,3,4-tetrahydroisoquinoline with cas registry number of 73075-43-1, whose systematic name is 5-chloro-1,2,3,4-tetrahydroisoquinoline. And its IUPAC name is 5-chloro-1,2,3,4-tetrahydroisoquinoline.
Physical properties about this chemical are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 12.03 Å2; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 46.67 cm3; (14)Molar Volume: 144.247 cm3; (15)Polarizability: 18.502×10-24cm3; (16)Surface Tension: 39.744 dyne/cm; (17)Enthalpy of Vaporization: 51.499 kJ/mol; (18)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Clc2cccc1CNCCc12;
(2)InChI:InChI=1/C9H10ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2;
(3)InChIKey:OHOZWCJUZQXMAW-UHFFFAOYAS;
(4)Std. InChI:InChI=1S/C9H10ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2;
(5)Std. InChIKey:OHOZWCJUZQXMAW-UHFFFAOYSA-N
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