Basic information
- CAS
57267-14-8- Standard SMILES
COc1cc(CCN(C)C)c([N+](=O)[O-])cc1OC- InChIKey
AGJIISHBPPNMSE-UHFFFAOYSA-N- Molecular formula
- C12H18N2O4
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.12665706
Names & identifiers
- Preferred name
- 2-(4,5-dimethoxy-2-nitrophenyl)-N,N-dimethylethanamine
- IUPAC
- 2-(4,5-dimethoxy-2-nitrophenyl)-N,N-dimethylethanamine
Names & synonyms
57267-14-8NSC280729NSC 280729DTXSID10314120NSC-2807292-(4,5-Dimethoxy-2-nitrophenyl)-N,N-dimethylethan-1-amine
Database identifiers
- CAS
57267-14-8- PubChem CID
- 322646
- DTXSID
DTXSID10314120
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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