Cas no 1024683-76-8 (2-ethyl-1-Pyrrolidinecarbonitrile)
1024683-76-8 structure
Product Name:2-ethyl-1-Pyrrolidinecarbonitrile
CAS No:1024683-76-8
MF:C7H12N2
MW:124.183581352234
CID:1096697
Update Time:2024-07-26
2-ethyl-1-Pyrrolidinecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-1-Pyrrolidinecarbonitrile
- 1-Pyrrolidinecarbonitrile, 2-ethyl-
-
- Inchi： 1S/C7H12N2/c1-2-7-4-3-5-9(7)6-8/h7H,2-5H2,1H3
- InChI Key： ISXSUTSGDGUZCK-UHFFFAOYSA-N
- SMILES： N1(C#N)CCCC1CC
Computed Properties
- Exact Mass: 124.100048g/mol
- Monoisotopic Mass: 124.100048g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 133
- 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
- Molecular Weight: 124.18g/mol
- XLogP3: 2
- Topological Polar Surface Area: 27?2
Experimental Properties
- Density: 0.97±0.1 g/cm3(Predicted)
- Boiling Point: 242.1±9.0 °C(Predicted)
- pka: -4.20±0.40(Predicted)
2-ethyl-1-Pyrrolidinecarbonitrile Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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