Cas no 61517-51-9 (Sulfamic acid, (1-ethylbutyl)-)
61517-51-9 structure
Product Name:Sulfamic acid, (1-ethylbutyl)-
CAS No:61517-51-9
MF:C6H15NO3S
MW:181.253200769424
CID:476492
PubChem ID:23466968
Update Time:2025-04-19
Sulfamic acid, (1-ethylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Sulfamic acid, (1-ethylbutyl)-
- hexan-3-ylsulfamic acid
- 61517-51-9
- SCHEMBL1780277
- DTXSID40634424
-
- Inchi： 1S/C6H15NO3S/c1-3-5-6(4-2)7-11(8,9)10/h6-7H,3-5H2,1-2H3,(H,8,9,10)
- InChI Key： BKSJBPVVAKYCHO-UHFFFAOYSA-N
- SMILES： S(NC(CC)CCC)(=O)(=O)O
Computed Properties
- Exact Mass: 181.07735
- Monoisotopic Mass: 181.07726451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 183
- 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: 1.1
- Topological Polar Surface Area: 74.8?2
Experimental Properties
- PSA: 66.4
Sulfamic acid, (1-ethylbutyl)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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