Cas no 827342-51-8 (Cyclopropanecarbonitrile, 1-butyl-2-methyl-, (1S,2S)-)
827342-51-8 structure
Product Name:Cyclopropanecarbonitrile, 1-butyl-2-methyl-, (1S,2S)-
CAS No:827342-51-8
MF:C9H15N
MW:137.222102403641
CID:684390
PubChem ID:71417470
Update Time:2025-04-19
Cyclopropanecarbonitrile, 1-butyl-2-methyl-, (1S,2S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarbonitrile, 1-butyl-2-methyl-, (1S,2S)-
- (1S,2S)-1-butyl-2-methylcyclopropane-1-carbonitrile
- DTXSID20836808
- 827342-51-8
-
- Inchi： 1S/C9H15N/c1-3-4-5-9(7-10)6-8(9)2/h8H,3-6H2,1-2H3/t8-,9+/m0/s1
- InChI Key： AFHLAOQEAJQFEF-DTWKUNHWSA-N
- SMILES： N#C[C@@]1(CCCC)C[C@@H]1C
Computed Properties
- Exact Mass: 137.120449483g/mol
- Monoisotopic Mass: 137.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 165
- 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: 2.7
- Topological Polar Surface Area: 23.8?2
Cyclopropanecarbonitrile, 1-butyl-2-methyl-, (1S,2S)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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