3,5-Dimethyl-1-(2-nitrophenyl)piperazine
Basic information
- CAS
450352-66-6- Standard SMILES
CC1CN(c2ccccc2[N+](=O)[O-])CC(C)N1- InChIKey
WJUYWKJVECSDQD-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- 3,5-Dimethyl-1-(2-nitrophenyl)piperazine
- IUPAC
- 3,5-dimethyl-1-(2-nitrophenyl)piperazine
Names & synonyms
3,5-dimethyl-1-(2-nitrophenyl)piperazine450352-66-63,5-Dimethyl-1-(2-nitro-phenyl)-piperazineOprea1_752755SCHEMBL3800773WJUYWKJVECSDQD-UHFFFAOYSA-NDTXSID501277396STK080292AKOS001594976AKOS0172698321-{2-nitrophenyl}-3,5-dimethylpiperazineST45026150
Show more names
AB00074320-01AG-690/400819893,5-dimethyl-1-(2-nitrophenyl)piperazine--hydrogen chloride (1/1)
Database identifiers
- CAS
450352-66-6- PubChem CID
- 2829622
- DTXSID
DTXSID501277396
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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