Cas no 85414-24-0 (sodium 1-butyl-5-oxopyrrolidine-3-carboxylate)
85414-24-0 structure
Product Name:sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CAS No:85414-24-0
MF:C9H14NNaO3
MW:207.202133655548
CID:990464
PubChem ID:23662544
Update Time:2025-04-20
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
- DTXSID901005923
- NS00092618
- 85414-24-0
- EINECS 287-194-2
- SCHEMBL10924502
- PIHMVPGVJKLVOI-UHFFFAOYSA-M
-
- Inchi: 1S/C9H15NO3.Na/c1-2-3-4-10-6-7(9(12)13)5-8(10)11;/h7H,2-6H2,1H3,(H,12,13);/q;+1/p-1
- InChI Key: PIHMVPGVJKLVOI-UHFFFAOYSA-M
- SMILES: [Na+].O=C1CC(C(=O)[O-])CN1CCCC
Computed Properties
- Exact Mass: 207.087138
- Monoisotopic Mass: 207.087138
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 220
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.4
Experimental Properties
- Boiling Point: 375.6°C at 760 mmHg
- Flash Point: 180.9°C
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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