N'-(6-Chloro-8-quinolinyl)-N,N-diethyl-1,6-hexanediamine ethanedioate (1:1)
Basic information
- CAS
5463-04-7- Standard SMILES
CCN(CC)CCCCCCNc1cc(Cl)cc2cccnc12.O=C(O)C(=O)O- InChIKey
DDAYWTLCWLRKQE-UHFFFAOYSA-N- Molecular formula
- C21H30ClN3O4
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.1924841
Names & identifiers
- Preferred name
- N'-(6-Chloro-8-quinolinyl)-N,N-diethyl-1,6-hexanediamine ethanedioate (1:1)
- IUPAC
- N-(6-chloroquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;oxalic acid
Names & synonyms
5463-04-7NSC13038N'-(6-Chloro-8-quinolinyl)-N,N-diethyl-1,6-hexanediamine ethanedioate (1:1)DTXSID40275977NSC-13038Oxalic acid--N~6~-(6-chloroquinolin-8-yl)-N~1~,N~1~-diethylhexane-1,6-diamine (1/1)1,a6-aHexanediamine, N6-a(6-achloro-a8-aquinolinyl)a-aN1,aN1-adiethyl-a, ethanedioate (1:1)
Database identifiers
- CAS
5463-04-7- PubChem CID
- 224513
- DTXSID
DTXSID40275977
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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