Cas no 10526-16-6 (Hexanedinitrile,2,2,5,5-tetramethyl-)
10526-16-6 structure
Product Name:Hexanedinitrile,2,2,5,5-tetramethyl-
CAS No:10526-16-6
MF:C10H16N2
MW:164.247442245483
CID:234138
PubChem ID:264233
Update Time:2025-04-19
Hexanedinitrile,2,2,5,5-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanedinitrile,2,2,5,5-tetramethyl-
- 2,2,5,5-tetramethylhexanedinitrile
- 2,2,5,5-Tetramethyl-adiponitril
- 2,2,5,5-tetramethyl-adiponitrile
- 2,2,5,5-Tetramethylhexandinitril
- 2,5-dicyano-2,5-dimethylhexane
- AC1L6BFN
- AC1Q4QL1
- AG-J-06689
- AR-1D0710
- CTK4A3703
- NCIOpen2_002163
- NSC99231
- NSC-99231
- SCHEMBL3629035
- 2,2,5,5-tetramethyladiponitrile
- ZTVWCVDHDYZBDT-UHFFFAOYSA-N
- 10526-16-6
- DTXSID50295005
-
- Inchi： 1S/C10H16N2/c1-9(2,7-11)5-6-10(3,4)8-12/h5-6H2,1-4H3
- InChI Key： ZTVWCVDHDYZBDT-UHFFFAOYSA-N
- SMILES： N#CC(C)(C)CCC(C#N)(C)C
Computed Properties
- Exact Mass: 164.13148
- Monoisotopic Mass: 164.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
- LogP: 2.86616
Hexanedinitrile,2,2,5,5-tetramethyl- Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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