Cas no 342878-54-0 (1-Pyrrolidinecarboxylicacid, 2-(1-methylethyl)-, methyl ester)
342878-54-0 structure
Product Name:1-Pyrrolidinecarboxylicacid, 2-(1-methylethyl)-, methyl ester
CAS No:342878-54-0
MF:C9H17NO2
MW:171.23678278923
CID:302277
PubChem ID:12064729
Update Time:2025-04-19
1-Pyrrolidinecarboxylicacid, 2-(1-methylethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrrolidinecarboxylicacid, 2-(1-methylethyl)-, methyl ester
- 1-Pyrrolidinecarboxylicacid,2-(1-methylethyl)-,methylester(9CI)
- Methyl 2-isopropylpyrrolidine-1-carboxylate
- SCHEMBL15912055
- 342878-54-0
- AKOS027405323
-
- Inchi： 1S/C9H17NO2/c1-7(2)8-5-4-6-10(8)9(11)12-3/h7-8H,4-6H2,1-3H3
- InChI Key： RYNOXRNKTDTYSD-UHFFFAOYSA-N
- SMILES： O(C)C(N1CCCC1C(C)C)=O
Computed Properties
- Exact Mass: 171.12601
- Monoisotopic Mass: 171.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 168
- 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
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
1-Pyrrolidinecarboxylicacid, 2-(1-methylethyl)-, methyl ester Related Literature
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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