2-(beta-Hydroxypropyl)amino-6-(beta-hydroxypropyl)aminonitrobenzene
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Basic information
- Standard SMILES
CC(O)CNc1cccc(NCC(C)O)c1[N+](=O)[O-]- InChIKey
NKEDPTKAGMBGAY-UHFFFAOYSA-N- Molecular formula
- C12H19N3O4
- Average molar mass
- 269.3 g/mol
Names & identifiers
- Preferred name
- 2-(beta-Hydroxypropyl)amino-6-(beta-hydroxypropyl)aminonitrobenzene
- IUPAC
- 1-[3-(2-hydroxypropylamino)-2-nitroanilino]propan-2-ol
Names & synonyms
SCHEMBL9771684NKEDPTKAGMBGAY-UHFFFAOYSA-N2-(beta-hydroxypropyl)amino-6-(beta-hydroxypropyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071077
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
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Related reactions
2 records
Compound notes
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