2-(gamma-Hydroxypropyl)amino-6-(gamma-hydroxypropyl)aminonitrobenzene
Basic information
- Standard SMILES
O=[N+]([O-])c1c(NCCCO)cccc1NCCCO- InChIKey
DIVGLDWPHGZXRH-UHFFFAOYSA-N- Molecular formula
- C12H19N3O4
- Average molar mass
- 269.3 g/mol
Names & identifiers
- Preferred name
- 2-(gamma-Hydroxypropyl)amino-6-(gamma-hydroxypropyl)aminonitrobenzene
- IUPAC
- 3-[3-(3-hydroxypropylamino)-2-nitroanilino]propan-1-ol
Names & synonyms
SCHEMBL9771638DIVGLDWPHGZXRH-UHFFFAOYSA-N2-(gamma-hydroxypropyl)amino-6-(gamma-hy-droxypropyl)aminonitrobenzene2-(gamma-hydroxypropyl)amino-6-(gamma-hydroxypropyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071067
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
Related reactions
3 records
Compound notes
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