Basic information
- CAS
35871-21-7- Standard SMILES
CN(C)CCCNc1cc(C(Br)(Br)Br)nc2ccccc12.Cl- InChIKey
ZWZPPCRTRNKJRE-UHFFFAOYSA-N- Molecular formula
- C15H19Br3ClN3
- Average molar mass
- 516.5 g/mol
- Monoisotopic mass
- 512.88176
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-dimethyl-N'-(2-(tribromomethyl)-4-quinolinyl)-, monohydrochloride
- IUPAC
- N',N'-dimethyl-N-[2-(tribromomethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride
Names & synonyms
1,3-Propanediamine, N,N-dimethyl-N'-(2-(tribromomethyl)-4-quinolinyl)-, monohydrochloride4-(3-Dimethylaminopropylamino)-2-tribromomethylquinoline hydrochloride35871-21-7DTXSID60189421N,N-Dimethyl-N'-(2-(tribromomethyl)-4-quinolinyl)-1,3-propanediamine monohydrochlorideRefChem:219484DTXCID90111912N~1~,N~1~-Dimethyl-N~3~-[2-(tribromomethyl)quinolin-4-yl]propane-1,3-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
35871-21-7- PubChem CID
- 215596
- DTXSID
DTXSID60189421
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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