Cas no 62426-06-6 (1H-Pyrrole, 4-bromo-2-(1-pyrrolidinylmethyl)-)
62426-06-6 structure
Product Name:1H-Pyrrole, 4-bromo-2-(1-pyrrolidinylmethyl)-
CAS No:62426-06-6
MF:C9H13BrN2
MW:229.116921186447
CID:445217
PubChem ID:21411891
Update Time:2025-04-19
1H-Pyrrole, 4-bromo-2-(1-pyrrolidinylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 4-bromo-2-(1-pyrrolidinylmethyl)-
- 4-bromo-2-(pyrrolidin-1-ylmethyl)-1H-pyrrole
- SCHEMBL11716258
- 4-Bromo-2-[(pyrrolidin-1-yl)methyl]-1H-pyrrole
- DTXSID80613339
- 62426-06-6
-
- Inchi： 1S/C9H13BrN2/c10-8-5-9(11-6-8)7-12-3-1-2-4-12/h5-6,11H,1-4,7H2
- InChI Key： QWOOEWVSJDJXIC-UHFFFAOYSA-N
- SMILES： BrC1=CNC(=C1)CN1CCCC1
Computed Properties
- Exact Mass: 228.02629
- Monoisotopic Mass: 228.02621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 146
- 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: 1.8
- Topological Polar Surface Area: 19?2
Experimental Properties
- PSA: 19.03
1H-Pyrrole, 4-bromo-2-(1-pyrrolidinylmethyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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