Cas no 138808-38-5 (Hexanenitrile, 2,4-dimethyl-)
Hexanenitrile, 2,4-dimethyl- structure
Product Name:Hexanenitrile, 2,4-dimethyl-
CAS No:138808-38-5
MF:C8H15N
MW:125.211402177811
CID:1255142
PubChem ID:59716262
Update Time:2025-04-20
Hexanenitrile, 2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanenitrile, 2,4-dimethyl-
- DTXSID601309778
- SCHEMBL13424248
- 138808-38-5
-
- Inchi： 1S/C8H15N/c1-4-7(2)5-8(3)6-9/h7-8H,4-5H2,1-3H3
- InChI Key： IPTOZYGQFKIXMN-UHFFFAOYSA-N
- SMILES： N#CC(C)CC(C)CC
Computed Properties
- Exact Mass: 125.12055
- Monoisotopic Mass: 125.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Hexanenitrile, 2,4-dimethyl- Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
138808-38-5 (Hexanenitrile, 2,4-dimethyl-) Related Products
- 766-05-2(Cyclohexanecarbonitrile)
- 4254-02-8(Cyclopentanecarbonitrile)
- 168280-46-4(1,3,5-Cyclohexanetricarbonitrile)
- 18936-17-9(2-Methylbutyronitrile)
- 1772-25-4(Hexane-1,3,6-tricarbonitrile)
- 32730-85-1(Cycloheptanecarbonitrile)
- 4426-11-3(Cyclobutanecarbonitrile)
- 55897-64-8(2-Isopropyl-2,3-dimethyl-butyronitrile)
- 13310-75-3(2-Propylvaleronitrile)
- 7391-58-4(2-butylpropanedinitrile)
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