Cas no 51800-34-1 (1,3-dimethylimidazol-1-ium-4-carboxylate)
51800-34-1 structure
Product Name:1,3-dimethylimidazol-1-ium-4-carboxylate
CAS No:51800-34-1
MF:C6H8N2O2
MW:140.139921188354
CID:935862
PubChem ID:479951
Update Time:2025-04-19
1,3-dimethylimidazol-1-ium-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dimethylimidazol-1-ium-4-carboxylate
- 1,3-Dimethylimidazole-4-carboxylic acid
- AC1LA1Q7
- Norzooanemonin
- NSC164679
- NSC-164679
- SCHEMBL6570992
- 1,3-dimethylimidazolium-4-carboxylate
- 1,3-dimethylimidazol-3-ium-4-carboxylic acid
- DRNBMZDLYPBIHO-UHFFFAOYSA-N
- DTXSID60333068
- 51800-34-1
-
- Inchi： 1S/C6H8N2O2/c1-7-3-5(6(9)10)8(2)4-7/h3-4H,1-2H3
- InChI Key： DRNBMZDLYPBIHO-UHFFFAOYSA-N
- SMILES： [O-]C(C1=C[N+](C)=CN1C)=O
Computed Properties
- Exact Mass: 141.06647
- Monoisotopic Mass: 140.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 143
- 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: 48.9?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 46.11
1,3-dimethylimidazol-1-ium-4-carboxylate Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
51800-34-1 (1,3-dimethylimidazol-1-ium-4-carboxylate) Related Products
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