Basic information
- CAS
16155-08-1- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1- InChIKey
NKULTGZUGOISIZ-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2
- Average molar mass
- 297.35 g/mol
- Monoisotopic mass
- 297.14772686
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-nitrophenyl)piperazine
- IUPAC
- 1-benzyl-4-(4-nitrophenyl)piperazine
- English name
- 1-Benzyl-4-(4-nitrophenyl)piperazine
- Molecular formula
- C17H19N3O2
- Molecular weight
- 297.35
Names & synonyms
1-benzyl-4-(4-nitrophenyl)piperazine16155-08-1DTXSID50372648RefChem:228056DTXCID00323680MFCD00215725Piperazine, 1-(4-nitrophenyl)-4-(phenylmethyl)-Maybridge1_0088421-(4-nitrophenyl)-4-benzylpiperazine1-(4-nitrophenyl)-4-(phenylmethyl)piperazineOprea1_587822SCHEMBL1126947
Show more names
1-BENZYL-4-(4-NITROPHENYL)PIPERAZINE, 95+%
CHEMBL4642513HMS566J20NKULTGZUGOISIZ-UHFFFAOYSA-NSBB067500STK062609AKOS000423821AB91438CS-W002521
Database identifiers
- CAS
16155-08-1- PubChem CID
- 2747427
- DTXSID
DTXSID50372648- ChEMBL
CHEMBL4642513- Nikkaji
- J357.211K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- Boiling point
- 461.7 · 461.7±45.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.2 · 7.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Aladdin Scientific[email protected]
平顶山隆维生物科技有限公司15343756688 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Related reactions
29 records
Compound notes
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