Cas no 89449-87-6 (Butane, 1-[1-(2-nitroethoxy)ethoxy]-)
![Butane, 1-[1-(2-nitroethoxy)ethoxy]- structure](https://ossimg.kuujia.com/scimg/89500/89449-87-6x500.png)
89449-87-6 structure
Product Name:Butane, 1-[1-(2-nitroethoxy)ethoxy]-
CAS No:89449-87-6
MF:C8H17NO4
MW:191.22488284111
CID:600035
PubChem ID:13197713
Update Time:2025-04-19
Butane, 1-[1-(2-nitroethoxy)ethoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Butane, 1-[1-(2-nitroethoxy)ethoxy]-
- 1-[1-(2-nitroethoxy)ethoxy]butane
- 89449-87-6
- DTXSID20526575
- acetaldehyde butyl 2-nitroethyl acetal
-
- Inchi： 1S/C8H17NO4/c1-3-4-6-12-8(2)13-7-5-9(10)11/h8H,3-7H2,1-2H3
- InChI Key： JKJWENDREAJBTJ-UHFFFAOYSA-N
- SMILES： O(C(C)OCC[N+](=O)[O-])CCCC
Computed Properties
- Exact Mass: 191.11575802g/mol
- Monoisotopic Mass: 191.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 135
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 64.3?2
Butane, 1-[1-(2-nitroethoxy)ethoxy]- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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