Cas no 31148-95-5 (1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-)
31148-95-5 structure
Product Name:1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
CAS No:31148-95-5
MF:C20H27N
MW:281.435085535049
CID:309155
PubChem ID:220337
Update Time:2025-04-19
1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
- Dehydroabietylnitrile
- Dehydroabietonitrile
- DTXSID40885494
- 1-Phenanthrenecarbonitrile,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
- NSC-146197
- 1-Phenanthrenecarbonitrile, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
- NSC2954
- Podocarpa-8,13-triene-15-nitrile, 13-isopropyl-
- NSC-2954
- 31148-95-5
- NSC146197
-
- Inchi： 1S/C20H27N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1
- InChI Key： KSODEYYYINEFHT-SLFFLAALSA-N
- SMILES： N#C[C@]1(C)CCC[C@]2(C)C3C=CC(C(C)C)=CC=3CC[C@H]21
Computed Properties
- Exact Mass: 281.21451
- Monoisotopic Mass: 281.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 444
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.01
- Boiling Point: 402.4°Cat760mmHg
- Flash Point: 152.2°C
- Refractive Index: 1.544
- PSA: 23.79
- LogP: 5.34388
1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
31148-95-5 (1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-) Related Products
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