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| CAS No.: | 210539-04-1 |
|---|---|
| Name: | 6-BENZYL-2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE |
| Molecular Structure: | |
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| Formula: | C15H15ClN2 |
| Molecular Weight: | 258.75 |
| Synonyms: | 6-Benzyl-2-chloro-5,6,7,8-tetrahydro-[1,6]naphthyridine; |
| Density: | 1.227 g/cm3 |
| Boiling Point: | 373.06 °C at 760 mmHg |
| Flash Point: | 179.421 °C |
| PSA: | 16.13000 |
| LogP: | 3.23120 |
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Specification
The 1,6-Naphthyridine,2-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-, with its CAS registry number 210539-04-1, has its systematic name of 6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine . With its molecular formula of C15H15ClN2, it should be kept in the cool, dry and well-ventilated place..
Physical properties of 1,6-Naphthyridine,2-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 62; (7)ACD/KOC (pH 5.5): 238; (8)ACD/KOC (pH 7.4): 666; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 74.146 cm3; (15)Molar Volume: 210.801 cm3; (16)Polarizability: 29.394×10-24cm3; (17)Surface Tension: 51.773 dyne/cm; (18)Density: 1.227 g/cm3; (19)Flash Point: 179.421 °C; (20)Enthalpy of Vaporization: 62.028 kJ/mol; (21)Boiling Point: 373.06 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES:Clc1ccc2CN(CCc2n1)Cc3ccccc3
(2)InChI:InChI=1/C15H15ClN2/c16-15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2
(3)InChIKey:BPAUBEUYIXYWAV-UHFFFAOYAG