Basic information
- Standard SMILES
COCCNc1cccc(NCCOC)c1[N+](=O)[O-]- InChIKey
ZQTQTCZBPOOPSH-UHFFFAOYSA-N- Molecular formula
- C12H19N3O4
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.1375561
Names & identifiers
- Preferred name
- 2-(beta-Methoxyethyl)amino-6-(beta-methoxyethyl)aminonitrobenzene
- IUPAC
- 1-N,3-N-bis(2-methoxyethyl)-2-nitrobenzene-1,3-diamine
Names & synonyms
SCHEMBL9771611ZQTQTCZBPOOPSH-UHFFFAOYSA-N2-(beta-methoxyethyl)amino-6-(beta-methoxyethyl)aminonitrobenzene
Database identifiers
- PubChem CID
- 20071069
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
Related reactions
3 records
Compound notes
Loading…