Basic information
- CAS
115619-00-6- Standard SMILES
CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
XEWICNRVCQLKIG-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207678
Names & identifiers
- Preferred name
- 1-Ethyl-4-(4-nitrophenyl)piperazine
- IUPAC
- 1-ethyl-4-(4-nitrophenyl)piperazine
- English name
- 1-ETHYL-4-(4-NITROPHENYL)PIPERAZINE
- Molecular formula
- C12H17N3O2
- Molecular weight
- 235.28
Names & synonyms
1-ethyl-4-(4-nitrophenyl)piperazine115619-00-6DTXSID10386281RefChem:230330DTXCID00337303Piperazine, 1-ethyl-4-(4-nitrophenyl)-MFCD006143721-Ethyl-4-(4-nitro-phenyl)-piperazineCBMicro_027169Oprea1_501624SCHEMBL374222CHEMBL4636455
Show more names
1-Ethyl-4-(4-nitrophenyl)piperazine,97%1-ETHYL-4-(4-NITROPHENYL)PIPERAZINE, 95+%
SCHEMBL16654093XEWICNRVCQLKIG-UHFFFAOYSA-NSBB067593STK7411964-ethyl-1-(4-nitrophenyl)piperazineAKOS000541387CS-W002646SY031413
Database identifiers
- CAS
115619-00-6- PubChem CID
- 2857549
- DTXSID
DTXSID10386281- ChEMBL
CHEMBL4636455
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 251
Physicochemical properties
- Boiling point
- 381.9 · 381.9±37.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 7.76 · 7.76±0.10(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers54 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
苏州莱克施德药业有限公司0512-63970158-603 18018108880 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Related reactions
29 records
Compound notes
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