Cas no 52464-52-5 (Benzenamine, 2-(octyloxy)-)
Benzenamine, 2-(octyloxy)- structure
Product Name:Benzenamine, 2-(octyloxy)-
CAS No:52464-52-5
MF:C14H23NO
MW:221.338524103165
CID:359560
PubChem ID:14747235
Update Time:2025-04-19
Benzenamine, 2-(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-(octyloxy)-
- 2-octoxyaniline
- A1-05045
- 52464-52-5
- 2-(OCTYLOXY)ANILINE
- DTXSID90563593
- AKOS000100245
- Benzenamine, 2-(octyloxy)-,
- SCHEMBL10430130
- 2-Octyloxy-phenylamine
-
- Inchi： 1S/C14H23NO/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h7-8,10-11H,2-6,9,12,15H2,1H3
- InChI Key： OGEFQWOGBSQSDP-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1N)CCCCCCCC
Computed Properties
- Exact Mass: 221.17809
- Monoisotopic Mass: 221.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 161
- 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: 4.6
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 35.25
Benzenamine, 2-(octyloxy)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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