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| CAS No.: | 210539-05-2 |
|---|---|
| Name: | 1,6-Naphthyridine, 2-chloro-5,6,7,8-tetrahydro- |
| Molecular Structure: | |
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| Formula: | C8H9ClN2 |
| Molecular Weight: | 168.626 |
| Synonyms: | 2-Chloro-5,6,7,8-tetrahydro-[1,6]naphthyridine; |
| Density: | 1.227g/cm3 |
| Boiling Point: | 284.822 °C at 760 mmHg |
| Flash Point: | 126.056 °C |
| PSA: | 24.92000 |
| LogP: | 2.51150 |
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Specification
The 1,6-Naphthyridine,2-chloro-5,6,7,8-tetrahydro-, with CAS registry number 210539-05-2, belongs to the following product category: Chiral Chemicals. It has the systematic name of 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine. And the chemical formula of this chemical is C8H9ClN2.
Physical properties of 1,6-Naphthyridine,2-chloro-5,6,7,8-tetrahydro-: (1)ACD/LogP: 0.80; (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): 30; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 24.92 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 44.762 cm3; (14)Molar Volume: 137.47 cm3; (15)Polarizability: 17.745×10-24cm3; (16)Surface Tension: 45.139 dyne/cm; (17)Density: 1.227 g/cm3; (18)Flash Point: 126.056 °C; (19)Enthalpy of Vaporization: 52.383 kJ/mol; (20)Boiling Point: 284.822 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2CNCCc2n1
(2)InChI: InChI=1/C8H9ClN2/c9-8-2-1-6-5-10-4-3-7(6)11-8/h1-2,10H,3-5H2
(3)InChIKey: CQDMQOQCJRLUQN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H9ClN2/c9-8-2-1-6-5-10-4-3-7(6)11-8/h1-2,10H,3-5H2
(5)Std. InChIKey: CQDMQOQCJRLUQN-UHFFFAOYSA-N