Cas no 54167-06-5 (Benzeneacetonitrile,a-(2,6-dimethylphenyl)-2,6-dimethyl-)
54167-06-5 structure
Product Name:Benzeneacetonitrile,a-(2,6-dimethylphenyl)-2,6-dimethyl-
CAS No:54167-06-5
MF:C18H19N
MW:249.350164651871
CID:373044
PubChem ID:3016857
Update Time:2025-04-19
Benzeneacetonitrile,a-(2,6-dimethylphenyl)-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,a-(2,6-dimethylphenyl)-2,6-dimethyl-
- Bis(2,6-dimethylphenyl)acetonitrile
- 2,2-bis(2,6-dimethylphenyl)acetonitrile
- EINECS 259-009-5
- NS00032983
- 54167-06-5
- bis-(2,6-Dimethylphenyl)acetonitrile
- DTXSID50202512
-
- Inchi: 1S/C18H19N/c1-12-7-5-8-13(2)17(12)16(11-19)18-14(3)9-6-10-15(18)4/h5-10,16H,1-4H3
- InChI Key: VELLWTFWQTXZAU-UHFFFAOYSA-N
- SMILES: N#CC(C1C(C)=CC=CC=1C)C1C(C)=CC=CC=1C
Computed Properties
- Exact Mass: 249.15187
- Monoisotopic Mass: 249.15175
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 293
- 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
- Topological Polar Surface Area: 23.8
- XLogP3: 4.7
Experimental Properties
- Density: 1.019
- Boiling Point: 385.3°Cat760mmHg
- Flash Point: 193.7°C
- Refractive Index: 1.562
- PSA: 23.79
Benzeneacetonitrile,a-(2,6-dimethylphenyl)-2,6-dimethyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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