1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-

HCID 453054

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Basic information

CAS: 133671-49-5
Standard SMILES: COc1ccc(-c2cc(NCCN(C)C)c3ccccc3n2)cc1
InChIKey: DPIXUMPQZPSUKL-UHFFFAOYSA-N
Molecular formula: C20H23N3O
Average molar mass: 321.4 g/mol
Monoisotopic mass: 321.18411237

Names & identifiers

Preferred name: 1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-
IUPAC: N-[2-(4-methoxyphenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

Names & synonyms

133671-49-51,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-DTXSID90158302N-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)quinolin-4-amineN-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)quinolin-4-amine1,2-Ethanediamine, N'-[2-(4-methoxyphenyl)-4-quinolinyl]-N,N-dimethyl-RefChem:216206DTXCID0080793N1-(2-(4-Methoxyphenyl)quinolin-4-yl)-N2,N2-dimethylethane-1,2-diamineN-[2-(4-methoxyphenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamineCHEMBL46258SCHEMBL23029600

Show more names

AKOS024328129ST50540144N-[2-(4-methoxyphenyl)-4-quinolyl]-N',N'-dimethyl-ethane-1,2-diamineN~1~-[2-(4-methoxyphenyl)-4-quinolinyl]-N~2~,N~2~-dimethyl-1,2-ethanediamineN~2~-[2-(4-Methoxyphenyl)quinolin-4-yl]-N~1~,N~1~-dimethylethane-1,2-diamine

Database identifiers

CAS: 133671-49-5
PubChem CID: 453054
DTXSID: DTXSID90158302

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 368

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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