Cas no 5260-25-3 (methyl 4-(4-nitrophenyl)piperazine-1-carboxylate)
5260-25-3 structure
Product Name:methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CAS No:5260-25-3
MF:C12H15N3O4
MW:265.265202760696
CID:1578331
PubChem ID:2838036
Update Time:2025-04-21
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
- 1-piperazinecarboxylic acid, 4-(4-nitrophenyl)-, methyl ester
- CCG-5167
- DTXSID10385532
- 91643-97-9
- SCHEMBL2105411
- STK372084
- AKOS003854655
- CBMicro_016202
- DB-172187
- 5260-25-3
- methyl 4-(4-nitrophenyl)-1-piperazinecarboxylate
- BIM-0016092.P001
- SR-01000201670
- Oprea1_549388
- SR-01000201670-1
-
- Inchi： 1S/C12H15N3O4/c1-19-12(16)14-8-6-13(7-9-14)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3
- InChI Key： HRZZZJBSXMRSEP-UHFFFAOYSA-N
- SMILES： O(C)C(N1CCN(C2C=CC(=CC=2)[N+](=O)[O-])CC1)=O
Computed Properties
- Exact Mass: 265.10635
- Monoisotopic Mass: 265.10625597g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 328
- 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: 1.5
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 75.92
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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