Cas no 157905-03-8 (Pyrrolidine,1-(bromoacetyl)-2,5-dimethyl-, cis- (9CI))
157905-03-8 structure
Product Name:Pyrrolidine,1-(bromoacetyl)-2,5-dimethyl-, cis- (9CI)
CAS No:157905-03-8
MF:C8H14BrNO
MW:220.106861591339
CID:107935
PubChem ID:45080673
Update Time:2025-04-18
Pyrrolidine,1-(bromoacetyl)-2,5-dimethyl-, cis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolidine,1-(bromoacetyl)-2,5-dimethyl-, cis- (9CI)
- SCHEMBL8553692
- 157905-03-8
- 2-Bromo-1-((2R,5S)-2,5-dimethylpyrrolidin-1-yl)ethanone
- Pyrrolidine, 1-(bromoacetyl)-2,5-dimethyl-, cis- (9CI)
-
- Inchi： 1S/C8H14BrNO/c1-6-3-4-7(2)10(6)8(11)5-9/h6-7H,3-5H2,1-2H3/t6-,7+
- InChI Key： UQZVNTZQPMYZPS-KNVOCYPGSA-N
- SMILES： BrCC(N1[C@H](C)CC[C@@H]1C)=O
Computed Properties
- Exact Mass: 219.02592
- Monoisotopic Mass: 219.02588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
Pyrrolidine,1-(bromoacetyl)-2,5-dimethyl-, cis- (9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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