Ethanediamine,N-bis(2-chloroethyl)-N'-(7-chloro-4-quinolinyl)-, dihydrochloride
Basic information
- CAS
4213-43-8- Standard SMILES
Cl.ClCCN(CCCl)CCNc1ccnc2cc(Cl)ccc12- InChIKey
DEQHIJVKWLBFME-UHFFFAOYSA-N- Molecular formula
- C15H19Cl4N3
- Average molar mass
- 383.1 g/mol
- Monoisotopic mass
- 381.033308
Names & identifiers
- Preferred name
- Ethanediamine,N-bis(2-chloroethyl)-N'-(7-chloro-4-quinolinyl)-, dihydrochloride
- IUPAC
- N',N'-bis(2-chloroethyl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine;hydrochloride
Names & synonyms
4213-43-8DTXSID70636597NSC17119Ethanediamine,N-bis(2-chloroethyl)-N'-(7-chloro-4-quinolinyl)-, dihydrochlorideN~1~,N~1~-Bis(2-chloroethyl)-N~2~-(7-chloroquinolin-4-yl)ethane-1,2-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
4213-43-8- PubChem CID
- 24182467
- DTXSID
DTXSID70636597
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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