Cas no 827342-52-9 (Cyclopropanecarbonitrile, 1-(1,1-dimethylethyl)-2-methyl-, (1S,2S)-)
827342-52-9 structure
Product Name:Cyclopropanecarbonitrile, 1-(1,1-dimethylethyl)-2-methyl-, (1S,2S)-
CAS No:827342-52-9
MF:C9H15N
MW:137.222102403641
CID:684389
PubChem ID:71417469
Update Time:2025-04-19
Cyclopropanecarbonitrile, 1-(1,1-dimethylethyl)-2-methyl-, (1S,2S)- Chemical and Physical Properties
Names and Identifiers
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- Cyclopropanecarbonitrile, 1-(1,1-dimethylethyl)-2-methyl-, (1S,2S)-
- (1S,2S)-1-tert-butyl-2-methylcyclopropane-1-carbonitrile
- DTXSID60836807
- 827342-52-9
-
- Inchi: 1S/C9H15N/c1-7-5-9(7,6-10)8(2,3)4/h7H,5H2,1-4H3/t7-,9-/m0/s1
- InChI Key: LHTZMCJWQCZSGK-CBAPKCEASA-N
- SMILES: N#C[C@@]1(C(C)(C)C)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: 1
- Complexity: 191
- 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: 2.4
- Topological Polar Surface Area: 23.8?2
Cyclopropanecarbonitrile, 1-(1,1-dimethylethyl)-2-methyl-, (1S,2S)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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