Cas no 831239-08-8 (2-Heptenenitrile, 3-methyl-)
2-Heptenenitrile, 3-methyl- structure
Product Name:2-Heptenenitrile, 3-methyl-
CAS No:831239-08-8
MF:C8H13N
MW:123.195522069931
CID:677297
PubChem ID:71416196
Update Time:2025-04-19
2-Heptenenitrile, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptenenitrile, 3-methyl-
- 3-methylhept-2-enenitrile
- DTXSID20835598
- 831239-08-8
- 3-methyl-2-heptenenitrile
-
- Inchi： 1S/C8H13N/c1-3-4-5-8(2)6-7-9/h6H,3-5H2,1-2H3
- InChI Key： MKBWCEYLCHAHRG-UHFFFAOYSA-N
- SMILES： N#CC=C(C)CCCC
Computed Properties
- Exact Mass: 123.104799419g/mol
- Monoisotopic Mass: 123.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.9
- Topological Polar Surface Area: 23.8?2
2-Heptenenitrile, 3-methyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
831239-08-8 (2-Heptenenitrile, 3-methyl-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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