1,6-Naphthyridine,2-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)- supplier

Name
6-BENZYL-2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE
EINECS
CAS No. 210539-04-1
Article Data7
CAS DataBase
Density 1.227 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅ClN₂
Boiling Point 373.06 °C at 760 mmHg
Molecular Weight 258.75
Flash Point 179.421 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Benzyl-2-chloro-5,6,7,8-tetrahydro-[1,6]naphthyridine;
PSA 16.13000
LogP 3.23120

1,6-Naphthyridine,2-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)- 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

Product Name

6-BENZYL-2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE

1,6-Naphthyridine,2-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)- Specification

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