Cas no 106144-21-2 (1,2-Benzenedicarbonitrile, 4-(octyloxy)-)
106144-21-2 structure
Product Name:1,2-Benzenedicarbonitrile, 4-(octyloxy)-
CAS No:106144-21-2
MF:C16H20N2O
MW:256.342803955078
CID:1172627
PubChem ID:11402624
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 4-(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-(octyloxy)-
- 4-octoxybenzene-1,2-dicarbonitrile
- SCHEMBL4666400
- 4-(octyloxy) phthalonitrile
- 106144-21-2
- DTXSID20464807
-
- Inchi： 1S/C16H20N2O/c1-2-3-4-5-6-7-10-19-16-9-8-14(12-17)15(11-16)13-18/h8-9,11H,2-7,10H2,1H3
- InChI Key： ZLYSPLLEHZXBSX-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=C(C#N)C=1)CCCCCCCC
Computed Properties
- Exact Mass: 256.1577
- Monoisotopic Mass: 256.157563266g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 335
- 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: 4.7
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
1,2-Benzenedicarbonitrile, 4-(octyloxy)- Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
106144-21-2 (1,2-Benzenedicarbonitrile, 4-(octyloxy)-) Related Products
- 104949-82-8(4-Hexyloxyphthalonitrile)
- 88374-55-4(4-n-Octyloxybenzonitrile)
- 161082-75-3(4-N-Dodecyloxyphthalonitrile)
- 81560-32-9(4-Butoxyphthalonitrile)
- 106144-18-7(4-Propoxyphthalonitrile)
- 106943-83-3(4-Pentyloxyphthalonitrile)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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