Basic information
- CAS
19577-82-3- Standard SMILES
CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1- InChIKey
FTWAMEGOZZYQHK-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207678
Names & identifiers
- Preferred name
- 1-Methyl-4-(2-nitrobenzyl)piperazine
- IUPAC
- 1-methyl-4-[(2-nitrophenyl)methyl]piperazine
- English name
- Piperazine, 1-methyl-4-[(2-nitrophenyl)methyl]-
- Molecular formula
- C12H17N3O2
- Molecular weight
- 235.28
Names & synonyms
19577-82-31-Methyl-4-(2-nitrobenzyl)piperazine1-(2-nitrobenzyl)-4-methylpiperazine1-methyl-4-[(2-nitrophenyl)methyl]piperazineMFCD00810565Cambridge id 5258836Oprea1_013762Piperazine, 1-methyl-4-[(2-nitrophenyl)methyl]-SCHEMBL4586698DTXSID10355093FTWAMEGOZZYQHK-UHFFFAOYSA-NAB9834
Show more names
1-methyl-4-[(2-nitrophenyl)methyl]-Piperazine
AKOS027252532SY233044N1 -methyl-N4 -(2-nitrobenzyl)piperazineCS-0333716AB00077140-01F474791SR-01000201530SR-01000201530-1
Database identifiers
- CAS
19577-82-3- PubChem CID
- 791374
- DTXSID
DTXSID10355093
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 171 °C · 171 °C(Press: 4 Torr)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 7.52 · 7.52±0.10(Predicted)
Chemistry & industry
Suppliers2 total
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
4 records
Compound notes
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