Basic information
- CAS
38925-92-7- Standard SMILES
COc1ccc2nccc(NCCCN(CCCl)CCCl)c2c1.Cl.Cl.O- InChIKey
QQQFAUJRZTVLNP-UHFFFAOYSA-N- Molecular formula
- C17H27Cl4N3O2
- Average molar mass
- 447.2 g/mol
- Monoisotopic mass
- 445.085738
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxy-4-quinolinyl)-, dihydrochloride, hydrate
- IUPAC
- N',N'-bis(2-chloroethyl)-N-(6-methoxyquinolin-4-yl)propane-1,3-diamine;hydrate;dihydrochloride
Names & synonyms
ICR 581,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxy-4-quinolinyl)-, dihydrochloride, hydrateDTXSID201922144-((3-(Bis(2-chloroethyl)amino)propyl)amino)-6-methoxyquinoline dihydrochloride hydrateQuinoline, 4-((3-(bis(2-chloroethyl)amino)propyl)amino)-6-methoxy-, dihydrochloride, hydrateRefChem:219464DTXCID3011470538925-92-7N~1~,N~1~-Bis(2-chloroethyl)-N~3~-(6-methoxyquinolin-4-yl)propane-1,3-diamine--hydrogen chloride--water (1/2/1)
Database identifiers
- CAS
38925-92-7- PubChem CID
- 148293
- DTXSID
DTXSID20192214
Properties
Computed structural properties
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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