Cas no 2980-92-9 (Benzene,1,3-diethyl-2-isocyano-)
2980-92-9 structure
Product Name:Benzene,1,3-diethyl-2-isocyano-
Benzene,1,3-diethyl-2-isocyano- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-diethyl-2-isocyano-
- 1,3-diethyl-2-isocyanobenzene
- 1,3-Diethyl-2-isocyano-benzene
- 1, 3-diethyl-2-isocyanobenzene
- AKOS015959124
- DTXSID00183943
- 2,6-Diethylphenylisonitrile
- 2,6-Depi
- Benzene, 1,3-diethyl-2-isocyano-
- SCHEMBL6056669
- HQEMVCBNLSTVAX-UHFFFAOYSA-N
- 2980-92-9
-
- Inchi： 1S/C11H13N/c1-4-9-7-6-8-10(5-2)11(9)12-3/h6-8H,4-5H2,1-2H3
- InChI Key： HQEMVCBNLSTVAX-UHFFFAOYSA-N
- SMILES： [N+](#[C-])C1C(=CC=CC=1CC)CC
Computed Properties
- Exact Mass: 159.10489
- Monoisotopic Mass: 159.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 3.1
- Topological Polar Surface Area: 4.4?2
Experimental Properties
- PSA: 4.36
Benzene,1,3-diethyl-2-isocyano- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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