Cas no 16411-13-5 (Butanedinitrile, 2,3-dimethyl-)
16411-13-5 structure
Product Name:Butanedinitrile, 2,3-dimethyl-
CAS No:16411-13-5
MF:C6H8N2
MW:108.141120910645
CID:1344678
PubChem ID:543121
Update Time:2025-04-20
Butanedinitrile, 2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanedinitrile, 2,3-dimethyl-
- 2,3-dimethylbutanedinitrile
- 2,3-Dimethylsuccinonitrile
- SCHEMBL1342663
- (R,r)-(+)-2,3-dimethylbutanedinitrile
- DTXSID80337503
- UJEJQKVERRRQQD-UHFFFAOYSA-N
- 2,3-dimethyl-butanedinitrile
- J-502301
- 16411-13-5
- 2,3-dicyanobutane
- 2,3-Dimethylsuccinonitrile #
- Succinonitrile, 2,3-dimethyl-
-
- Inchi： 1S/C6H8N2/c1-5(3-7)6(2)4-8/h5-6H,1-2H3
- InChI Key： UJEJQKVERRRQQD-UHFFFAOYSA-N
- SMILES： N#CC(C)C(C#N)C
Computed Properties
- Exact Mass: 108.06884
- Monoisotopic Mass: 108.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 134
- 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: 0.7
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
Butanedinitrile, 2,3-dimethyl- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
16411-13-5 (Butanedinitrile, 2,3-dimethyl-) Related Products
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