4-Chloro-2-(beta-diethylaminoethyl)amino-6-(beta-diethylaminoethyl)aminonitrobenzene
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Basic information
- Standard SMILES
CCN(CC)CCNc1cc(Cl)cc(NCCN(CC)CC)c1[N+](=O)[O-]- InChIKey
YZZKEXKQZAHCMB-UHFFFAOYSA-N- Molecular formula
- C18H32ClN5O2
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.224453
Names & identifiers
- Preferred name
- 4-Chloro-2-(beta-diethylaminoethyl)amino-6-(beta-diethylaminoethyl)aminonitrobenzene
- IUPAC
- 5-chloro-1-N,3-N-bis[2-(diethylamino)ethyl]-2-nitrobenzene-1,3-diamine
Names & synonyms
SCHEMBL9771692YZZKEXKQZAHCMB-UHFFFAOYSA-N4-chloro-2-(beta-diethylaminoethyl)amino-6-(beta-diethylaminoethyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071086
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 360
Related reactions
4 records
Compound notes
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