Cas no 127833-44-7 (Octacosanenitrile)
Octacosanenitrile structure
Product Name:Octacosanenitrile
CAS No:127833-44-7
MF:C28H55N
MW:405.743008852005
CID:230958
PubChem ID:182873
Update Time:2025-04-19
Octacosanenitrile Chemical and Physical Properties
Names and Identifiers
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- Octacosanenitrile
- DTXSID70155677
- 127833-44-7
-
- Inchi: 1S/C28H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h2-27H2,1H3
- InChI Key: VPYLCZCBHYWZGZ-UHFFFAOYSA-N
- SMILES: N#CCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 405.43375
- Monoisotopic Mass: 405.433450759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 25
- Complexity: 327
- 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: 13.4
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Octacosanenitrile Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
127833-44-7 (Octacosanenitrile) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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