Cas no 16411-14-6 (Hexanedinitrile, 2,5-dimethyl-)
16411-14-6 structure
Product Name:Hexanedinitrile, 2,5-dimethyl-
CAS No:16411-14-6
MF:C8H12N2
MW:136.194281578064
CID:95700
PubChem ID:13531379
Update Time:2025-04-18
Hexanedinitrile, 2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanedinitrile, 2,5-dimethyl-
- 2,5-dimethylhexanedinitrile
- DTXSID30543117
- SCHEMBL10932800
- 16411-14-6
-
- Inchi： 1S/C8H12N2/c1-7(5-9)3-4-8(2)6-10/h7-8H,3-4H2,1-2H3
- InChI Key： OJAINTHUXHKETM-UHFFFAOYSA-N
- SMILES： N#CC(C)CCC(C#N)C
Computed Properties
- Exact Mass: 136.100048391g/mol
- Monoisotopic Mass: 136.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 1.5
- Topological Polar Surface Area: 47.6?2
Hexanedinitrile, 2,5-dimethyl- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
16411-14-6 (Hexanedinitrile, 2,5-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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