CAS 50693-78-2 4-Methyl-2-piperazin-1-yl-quinoline (HCID 598754)

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Basic information

CAS: 50693-78-2
Standard SMILES: Cc1cc(N2CCNCC2)nc2ccccc12
InChIKey: LCRABWZMGNEZJV-UHFFFAOYSA-N
Molecular formula: C14H17N3
Average molar mass: 227.3 g/mol
Monoisotopic mass: 227.14224754

Names & identifiers

Preferred name: 4-Methyl-2-piperazin-1-yl-quinoline
IUPAC: 4-methyl-2-piperazin-1-ylquinoline
English name: 4-Methyl-2-piperazin-1-yl-quinoline
Molecular formula: C14H17N3
Molecular weight: 227.3

Names & synonyms

50693-78-24-Methyl-2-piperazin-1-yl-quinolineDTXSID00344673RefChem:294257DTXCID102957484-methyl-2-(piperazin-1-yl)quinoline4-Methyl-2-(1-piperazinyl)quinoline4-methyl-2-piperazin-1-ylquinoline4-Methyl-2-(Piperazin-1-Yl) QuinolineCHEMBL1559535(4-methyl-2-quinolyl)piperazineMFCD00818513

Show more names

AKOS B028520AKOS BB-6900TIMTEC-BB SBB007335ART-CHEM-BB B028520Quinoline, 4-methyl-2-(1-piperazinyl)-

Oprea1_006578MLS001208393SCHEMBL4821642HMS1693M19ALBB-005448BNA82721BDBM50431276SBB007335

Database identifiers

CAS: 50693-78-2
PubChem CID: 598754
DTXSID: DTXSID00344673
ChEMBL: CHEMBL1559535
EC Number: 676-467-5
Nikkaji: J2.762.282H

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 250

Experimental & physicochemical properties

Solubility33.3 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Density: 1.128 · 1.128
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.