4-Chloro-2-(gamma-hydroxypropyl)amino-6-(gamma-hydroxypropyl)aminonitrobenzene
Basic information
- Standard SMILES
O=[N+]([O-])c1c(NCCCO)cc(Cl)cc1NCCCO- InChIKey
FQODYPBLOAWANB-UHFFFAOYSA-N- Molecular formula
- C12H18ClN3O4
- Average molar mass
- 303.74 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-(gamma-hydroxypropyl)amino-6-(gamma-hydroxypropyl)aminonitrobenzene
- IUPAC
- 3-[5-chloro-3-(3-hydroxypropylamino)-2-nitroanilino]propan-1-ol
Names & synonyms
SCHEMBL9771579FQODYPBLOAWANB-UHFFFAOYSA-N4- chloro-2-(gamma-hydroxypropyl)amino-6-(gamma-hydroxypropyl)aminonitrobenzene4-chloro-2-(gamma-hydroxypropyl)amino-6-(gamma-hydroxypropyl)amino-nitrobenzene4-chloro-2-(gamma-hydroxypropyl)amino-6-(gamma-hydroxypropyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071068
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Related reactions
4 records
Compound notes
Loading…