Basic information
- CAS
133671-68-8- Standard SMILES
CN(C)CCNc1cc(-c2cccs2)nc2ccccc12- InChIKey
SHDLOADGXCJRFC-UHFFFAOYSA-N- Molecular formula
- C17H19N3S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.12996879
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N,N-dimethyl-N'-(2-(2-thienyl)-4-quinolinyl)-
- IUPAC
- N',N'-dimethyl-N-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine
- English name
- 1,2-Ethanediamine, N,N-dimethyl-N''-(2-(2-thienyl)-4-quinolinyl)-
- Molecular formula
- C17H19N3S
- Molecular weight
- 297.42
Names & synonyms
133671-68-81,2-Ethanediamine, N,N-dimethyl-N'-(2-(2-thienyl)-4-quinolinyl)-N-(2-(Dimethylamino)ethyl)-2-(2-thienyl)quinolin-4-amineDTXSID20158310N-[2-(Dimethylamino)ethyl]-2-(2-thienyl)quinolin-4-amine1,2-Ethanediamine, N,N-dimethyl-N'-[2-(2-thienyl)-4-quinolinyl]-RefChem:216268DTXCID7080801IFN-1 Inducer L56N',N'-dimethyl-N-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamineN-[2-(DIMETHYLAMINO)ETHYL]-2-(THIOPHEN-2-YL)QUINOLIN-4-AMINEN1,N1-Dimethyl-N2-[2-(2-thienyl)-4-quinolinyl]-1,2-ethanediamine
Show more names
1,2-Ethanediamine, N,N-dimethyl-N''-(2-(2-thienyl)-4-quinolinyl)-N,N-DIMETHYL-N'-(2-THIOPHEN-2-YL-QUINOLIN-4-YL)-ETHANE-1,2-DIAMINEN,N-DIMETHYL-N'-(2-THIOPHEN-2-YL-QUINOLIN-4-YL)-ETHANE-1,2-DIAMINE1,2-Ethanediamine, N1,N1-dimethyl-N2-[2-(2-thienyl)-4-quinolinyl]-
SHDLOADGXCJRFC-UHFFFAOYSA-NMaybridge3_005311Oprea1_147105CHEMBL298050GLXC-01895HMS1446B09IFA67168GEO-03349
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 475.5 · 475.5±45.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 9 · 9.00±0.28(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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