2-(beta-Diethylaminoethyl)amino-6-(beta-diethylaminoethyl)aminonitrobenzene dihydrochloride
Basic information
- Standard SMILES
CCN(CC)CCNc1cccc(NCCN(CC)CC)c1[N+](=O)[O-].Cl.Cl- InChIKey
VDKDPGSZCNUJKM-UHFFFAOYSA-N- Molecular formula
- C18H35Cl2N5O2
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 423.2167808
Names & identifiers
- Preferred name
- 2-(beta-Diethylaminoethyl)amino-6-(beta-diethylaminoethyl)aminonitrobenzene dihydrochloride
- IUPAC
- 1-N,3-N-bis[2-(diethylamino)ethyl]-2-nitrobenzene-1,3-diamine;dihydrochloride
Names & synonyms
SCHEMBL9771678VDKDPGSZCNUJKM-UHFFFAOYSA-N2-(beta-diethylaminoethyl)amino-6-(beta-diethylaminoethyl)aminonitrobenzene dihydrochloride
Database identifiers
- PubChem CID
- 20071084
Properties
Computed structural properties
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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