Cas no 62788-07-2 (Benzonitrile, 4-(4-heptylcyclohexyl)-)
62788-07-2 structure
Product Name:Benzonitrile, 4-(4-heptylcyclohexyl)-
CAS No:62788-07-2
MF:C20H29N
MW:283.450965642929
CID:431220
PubChem ID:109064
Update Time:2025-04-19
Benzonitrile, 4-(4-heptylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(4-heptylcyclohexyl)-
- 4-(4-heptylcyclohexyl)Benzonitrile
- p-(4-Heptylcyclohexyl)benzonitrile
- trans-4-(4-n-Heptylcyclohexyl)benzonitrile
- SCHEMBL2461897
- DTXSID601007025
- NSGMZTNTQKRAFA-UHFFFAOYSA-N
- F16590
- 4-(4-Heptylcyclohexyl)benzonitrile #
- FT-0757345
- DS-6479
- MFCD17015072
- NS00053426
- Benzonitrile, 4-(trans-4-heptylcyclohexyl)-
- InChI=1/C20H29N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h10-11,14-15,17,19H,2-9,12-13H2,1H3
- EINECS 262-658-7
- 4-(trans-4-Heptylcyclohexyl)benzonitrile
- 61204-03-3
- C20H29N
- trans-4-(4-Heptylcyclohexylbenzonitrile
- 62788-07-2
- SB66867
- SCHEMBL261098
- trans-4-(4-Heptylcyclohexyl)benzonitrile
- CS-0061492
- DTXSID60886423
- A923974
- AKOS016014056
- NSGMZTNTQKRAFA-UHFFFAOYSA-
- FT-0735811
- trans-4-Heptyl(4-cyanophenyl)cyclohexane
- AKOS015917953
-
- Inchi： 1S/C20H29N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h10-11,14-15,17,19H,2-9,12-13H2,1H3
- InChI Key： NSGMZTNTQKRAFA-UHFFFAOYSA-N
- SMILES： N#CC1C=CC(=CC=1)C1CCC(CCCCCCC)CC1
Computed Properties
- Exact Mass: 283.23017
- Monoisotopic Mass: 283.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 310
- 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: 23.8A^2
- XLogP3: 7.7
Experimental Properties
- Density: 0.96
- Boiling Point: 409.2°C at 760 mmHg
- Flash Point: 202.6°C
- Refractive Index: 1.518
- PSA: 23.79
Benzonitrile, 4-(4-heptylcyclohexyl)- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
62788-07-2 (Benzonitrile, 4-(4-heptylcyclohexyl)-) Related Products
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