Cas no 590-03-4 (Carbamic acid,hydroxy-, butyl ester (7CI,8CI,9CI))
590-03-4 structure
Product Name:Carbamic acid,hydroxy-, butyl ester (7CI,8CI,9CI)
Carbamic acid,hydroxy-, butyl ester (7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,hydroxy-, butyl ester (7CI,8CI,9CI)
- butyl N-hydroxycarbamate
- N-Hydroxycarbamic acid butyl ester
- Carbamic acid, hydroxy-, butyl ester
- carbamic acid, N-hydroxy-, butyl ester
- butoxyhydroxamic acid
- 590-03-4
- Butyl hydroxycarbamate
- AKXRWRQEECPABP-UHFFFAOYSA-N
- DTXSID80207732
- SCHEMBL383296
-
- Inchi： 1S/C5H11NO3/c1-2-3-4-9-5(7)6-8/h8H,2-4H2,1H3,(H,6,7)
- InChI Key： AKXRWRQEECPABP-UHFFFAOYSA-N
- SMILES： O(C(NO)=O)CCCC
Computed Properties
- Exact Mass: 133.07393
- Monoisotopic Mass: 133.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 84.3
- 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: 0.7
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.56
Carbamic acid,hydroxy-, butyl ester (7CI,8CI,9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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