CAS 10500-57-9 5,6,7,8-Tetrahydroquinoline (HCID 66335)

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Basic information

CAS: 10500-57-9
Standard SMILES: c1cnc2c(c1)CCCC2
InChIKey: YQDGQEKUTLYWJU-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914935

Overview

C5a receptor antagonist; structure in first source

Names & identifiers

Preferred name: 5,6,7,8-Tetrahydroquinoline
IUPAC: 5,6,7,8-tetrahydroquinoline
English name: 5,6,7,8-Tetrahydroquinoline
Molecular formula: C9H11N
Molecular weight: 133.19

Names & synonyms

5,6,7,8-Tetrahydroquinoline10500-57-9L786AAG56HNSC-241127DTXSID40146911RefChem:101105DTXCID6069402234-030-22,3-Cyclohexeno pyridineQuinoline, 5,6,7,8-tetrahydro-5,6,7,8-Tetra-hydroquinolineMFCD00006734

Show more names

5,6,7,8-Tetrahydroquinoline ,98%5,6,7,8- fourhydrogenation ofquinolineNSC 24112725G/100G/1KG5,6,7,8-Tetrahydroquino2,3-CYCLOHEXANO PYRIDINE5,6,7,8-TetrahydroquinoLquinoline,5,6,7,8-tetrahydro-

5,6,7,8-TETRAHYDRO-QUINOLINEUNII-L786AAG56H2,3-CyclohexenopyridineEINECS 234-030-2CS-D1679AKOS004910439T1150Z1201617100

Database identifiers

CAS: 10500-57-9
PubChem CID: 66335
DTXSID: DTXSID40146911
UNII: L786AAG56H
EC Number: 234-030-2

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 111

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical DescriptionLiquid; [TCI America MSDS]

Physicochemical properties

Boiling point: 238 °C · 238°C
Density: 1 · 1,08 g/cm3
refractive index: 1.542 to · 1.5420 to 1.5450
Flash point: 90 °C · 90°C
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), DMSO (Sparingly) Methanol (Slightly)
form: Oil
pka: 6.3 · 6.30±0.20(Predicted)
color: Colourless
Specific Gravity: 1.0341 · 1.0341.0304 (20/4℃)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.