Cas no 1093107-71-1 (4-(3-nitrophenyl)-1-Piperazinecarboxaldehyde)
1093107-71-1 structure
Product Name:4-(3-nitrophenyl)-1-Piperazinecarboxaldehyde
CAS No:1093107-71-1
MF:C11H13N3O3
MW:235.239222288132
CID:1098533
PubChem ID:53416089
Update Time:2025-04-20
4-(3-nitrophenyl)-1-Piperazinecarboxaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-(3-nitrophenyl)-1-Piperazinecarboxaldehyde
- 4-(3-Nitrophenyl)piperazine-1-carbaldehyde
- 1093107-71-1
- DB-366790
- AKOS014324318
-
- Inchi： 1S/C11H13N3O3/c15-9-12-4-6-13(7-5-12)10-2-1-3-11(8-10)14(16)17/h1-3,8-9H,4-7H2
- InChI Key： KCEVDIQBKIKRGH-UHFFFAOYSA-N
- SMILES： O=CN1CCN(C2C=CC=C(C=2)[N+](=O)[O-])CC1
Computed Properties
- Exact Mass: 235.09569129g/mol
- Monoisotopic Mass: 235.09569129g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 284
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Boiling Point: 456.8±40.0 °C at 760 mmHg
- Flash Point: 230.0±27.3 °C
- Vapor Pressure: 0.0±1.1 mmHg at 25°C
4-(3-nitrophenyl)-1-Piperazinecarboxaldehyde Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(3-nitrophenyl)-1-Piperazinecarboxaldehyde Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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