Cas no 3441-44-9 (1,2,3-Oxadiazolium,5-hydroxy-3-(1-methylpropyl)-, inner salt)
3441-44-9 structure
Product Name:1,2,3-Oxadiazolium,5-hydroxy-3-(1-methylpropyl)-, inner salt
CAS No:3441-44-9
MF:C6H10N2O2
MW:142.155801296234
CID:310862
PubChem ID:103010
Update Time:2025-04-19
1,2,3-Oxadiazolium,5-hydroxy-3-(1-methylpropyl)-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Oxadiazolium,5-hydroxy-3-(1-methylpropyl)-, inner salt
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(1-methylpropyl)-, inner salt (9CI)
- 3-(butan-2-yl)-1,2,3-oxadiazol-3-ium-5-olate
- 3-sec-Butyl-1,2,3-oxadiazolidin-5-one
- 3-sec-Butylsydnone
- BRN 4135853
- Sydnone, 3-(1-methylpropyl)-
- Sydnone, 3-sec-butyl-
- NSC-56792
- EINECS 222-350-5
- 3-s-butylsydnone
- NSC56792
- DTXSID601183344
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(1-methylpropyl)-, inner salt
- 3441-44-9
-
- Inchi： 1S/C6H10N2O2/c1-3-5(2)8-4-6(9)10-7-8/h4-5H,3H2,1-2H3
- InChI Key： SHJLCCKPLRBXKH-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](C(C)CC)=N1)[O-]
Computed Properties
- Exact Mass: 144.08996
- Monoisotopic Mass: 142.074228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 110
- 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
- Topological Polar Surface Area: 53
- XLogP3: 2.4
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 41.57
1,2,3-Oxadiazolium,5-hydroxy-3-(1-methylpropyl)-, inner salt Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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