Cas no 112493-76-2 ([1,1'-Bicyclohexyl]-4-carbonitrile,4-[(3S)-3,7-dimethyloctyl]-4'-heptyl-, (cis,trans)- (9CI))
![[1,1'-Bicyclohexyl]-4-carbonitrile,4-[(3S)-3,7-dimethyloctyl]-4'-heptyl-, (cis,trans)- (9CI) structure](https://ossimg.kuujia.com/scimg/112500/112493-76-2x500.png)
112493-76-2 structure
Product Name:[1,1'-Bicyclohexyl]-4-carbonitrile,4-[(3S)-3,7-dimethyloctyl]-4'-heptyl-, (cis,trans)- (9CI)
CAS No:112493-76-2
MF:C30H55N
MW:429.764409303665
CID:208339
Update Time:2024-01-26
[1,1'-Bicyclohexyl]-4-carbonitrile,4-[(3S)-3,7-dimethyloctyl]-4'-heptyl-, (cis,trans)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Bicyclohexyl]-4-carbonitrile,4-[(3S)-3,7-dimethyloctyl]-4'-heptyl-, (cis,trans)- (9CI)
- [1,1'-Bicyclohexyl]-4-carbonitrile,4-(3,7-dimethyloctyl)-4'-heptyl-, [4(S)-[1a(trans),4a]]-
- C 7D
- [1,1'-Bicyclohexyl]-4-carbonitrile, 4-[(3S)-3,7-dimethyloctyl]-4'-heptyl-, (cis,trans)- (9CI)
-
- Inchi： 1S/C30H55N/c1-5-6-7-8-9-13-27-14-16-28(17-15-27)29-19-22-30(24-31,23-20-29)21-18-26(4)12-10-11-25(2)3/h25-29H,5-23H2,1-4H3/t26-,27?,28?,29-,30+/m0/s1
- InChI Key： LQBBBEYJTDCTIO-BIAIOAHNSA-N
- SMILES： [C@@H]1(C2CCC(CCCCCCC)CC2)CC[C@](CC[C@@H](C)CCCC(C)C)(C#N)CC1
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 0.89±0.1 g/cm3(Predicted)
- Boiling Point: 525.0±19.0 °C(Predicted)
- PSA: 52.54
[1,1'-Bicyclohexyl]-4-carbonitrile,4-[(3S)-3,7-dimethyloctyl]-4'-heptyl-, (cis,trans)- (9CI) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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