Cas no 58475-05-1 (Heptanenitrile, 2,6-dimethyl-)
Heptanenitrile, 2,6-dimethyl- structure
Product Name:Heptanenitrile, 2,6-dimethyl-
CAS No:58475-05-1
MF:C9H17N
MW:139.23798251152
CID:341954
PubChem ID:23172957
Update Time:2025-04-19
Heptanenitrile, 2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanenitrile, 2,6-dimethyl-
- 2,6-dimethylheptanenitrile
- DTXSID80631179
- SCHEMBL13256439
- 58475-05-1
-
- Inchi： 1S/C9H17N/c1-8(2)5-4-6-9(3)7-10/h8-9H,4-6H2,1-3H3
- InChI Key： AHGKTDMTUMZVTH-UHFFFAOYSA-N
- SMILES： N#CC(C)CCCC(C)C
Computed Properties
- Exact Mass: 139.13621
- Monoisotopic Mass: 139.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 118
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Heptanenitrile, 2,6-dimethyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
58475-05-1 (Heptanenitrile, 2,6-dimethyl-) Related Products
- 766-05-2(Cyclohexanecarbonitrile)
- 32730-85-1(Cycloheptanecarbonitrile)
- 4254-02-8(Cyclopentanecarbonitrile)
- 168280-46-4(1,3,5-Cyclohexanetricarbonitrile)
- 18936-17-9(2-Methylbutyronitrile)
- 1772-25-4(Hexane-1,3,6-tricarbonitrile)
- 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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