Basic information
- CAS
21091-98-5- Standard SMILES
CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
UMRXCSPRJVBXHH-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134134
Names & identifiers
- Preferred name
- (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone
- IUPAC
- (4-methylpiperazin-1-yl)-(4-nitrophenyl)methanone
- English name
- (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone
- Molecular formula
- C12H15N3O3
- Molecular weight
- 249.27
Names & synonyms
(4-methylpiperazin-1-yl)(4-nitrophenyl)methanone21091-98-5DTXSID70352008RefChem:208956DTXCID10303074MFCD00585638(4-methylpiperazin-1-yl)-(4-nitrophenyl)methanoneMethanone, (4-methyl-1-piperazinyl)(4-nitrophenyl)-1-methyl-4-[(4-nitrophenyl)carbonyl]piperazine1-Methyl-4-(4-nitrobenzoyl)piperazineOprea1_063180SCHEMBL110101
Show more names
(4-methyl-1-piperazinyl)(4-nitrophenyl)methanone
SCHEMBL12248114UMRXCSPRJVBXHH-UHFFFAOYSA-N1-Methyl-4-(4-nitrobenzoyl)piperaSTK179280AKOS0029597724-methyl-1-(4-nitrobenzoyl)piperazineSS-4663DA-31924
Database identifiers
- CAS
21091-98-5- PubChem CID
- 716396
- DTXSID
DTXSID70352008
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 423.9 · 423.9±40.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.59 · 6.59±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone is a useful reactant for interconversion of amide to thioamide using reusable MCM-41 mesoporous silica.
Upstream & downstream products
Upstream raw materials
Suppliers22 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Related reactions
19 records
Compound notes
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