Cas no 3483-30-5 (3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1))
3483-30-5 structure
Product Name:3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1)
CAS No:3483-30-5
MF:C7H14ClN3O2
MW:207.657960414886
CID:1466630
PubChem ID:198898
Update Time:2025-04-20
3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1)
- 3-[3-(dimethylamino)propyl]oxadiazol-3-ium-5-olate,hydrochloride
- Sydnone, 3-(3-(dimethylamino)propyl)-, monohydrochloride
- 3483-30-5
- 3-(3-(Dimethylamino)propyl)sydnone monohydrochloride
- DTXSID20188379
-
- Inchi: 1S/C7H13N3O2.ClH/c1-9(2)4-3-5-10-6-7(11)12-8-10;/h6H,3-5H2,1-2H3;1H
- InChI Key: OPDWEBDRWYXRGZ-UHFFFAOYSA-N
- SMILES: Cl.O1C(=C[N+](CCCN(C)C)=N1)[O-]
Computed Properties
- Exact Mass: 207.07762
- Monoisotopic Mass: 207.0774544g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 132
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 56.21
3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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