Cas no 89736-74-3 (2,5-Pyrrolidinedione, 1-[1-(bromomethyl)heptyl]-)
![2,5-Pyrrolidinedione, 1-[1-(bromomethyl)heptyl]- structure](https://ossimg.kuujia.com/scimg/90000/89736-74-3x500.png)
89736-74-3 structure
Product Name:2,5-Pyrrolidinedione, 1-[1-(bromomethyl)heptyl]-
CAS No:89736-74-3
MF:C12H20BrNO2
MW:290.196702957153
CID:590700
PubChem ID:13273704
Update Time:2025-04-19
2,5-Pyrrolidinedione, 1-[1-(bromomethyl)heptyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Pyrrolidinedione, 1-[1-(bromomethyl)heptyl]-
- 1-(1-bromooctan-2-yl)pyrrolidine-2,5-dione
- DTXSID80533907
- 89736-74-3
-
- Inchi： 1S/C12H20BrNO2/c1-2-3-4-5-6-10(9-13)14-11(15)7-8-12(14)16/h10H,2-9H2,1H3
- InChI Key： KJMUOVRFURBFCW-UHFFFAOYSA-N
- SMILES： BrCC(CCCCCC)N1C(CCC1=O)=O
Computed Properties
- Exact Mass: 289.06774g/mol
- Monoisotopic Mass: 289.06774g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 37.4?2
2,5-Pyrrolidinedione, 1-[1-(bromomethyl)heptyl]- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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