Cas no 181517-09-9 (1,1'-Carbonyldiimidazole-13C)
1,1'-Carbonyldiimidazole-13C structure
Product Name:1,1'-Carbonyldiimidazole-13C
CAS No:181517-09-9
MF:C7H6N4O
MW:163.14139509201
CID:1063895
PubChem ID:71314513
Update Time:2025-04-20
1,1'-Carbonyldiimidazole-13C Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Carbonyldiimidazole-13C
- di(imidazol-1-yl)methanone
- di-1H-IMidazol-1-yl-Methanone-13C
- 1,1'-(Carbonyl-13C)bis-1H-iMidazole
- DTXSID20747288
- Di(imidazol-1-yl)(113C)methanone
- 181517-09-9
- di-1H-Imidazol-1-yl-methanone-13C; 1,1'-(Carbonyl-13C)bis-1H-imidazole; Methanone-13C, di-1H-imidazol-1-yl- (ACI); 1H-Imidazole, 1,1?-(carbonyl-13C)bis- (9CI); Di-1H-imidazol-1-ylmethanone-13C (ACI)
- Di(1H-imidazol-1-yl)methanone-13C
- 1,1'-Carbonyl-13C-diimidazole, 99 atom % 13C, 98% (CP)
- 1,1/'-CarbonyldiiMidazole-13C
- 1,1'-Carbonyldiimidazole-13C (>90%)
- starbld0017023
- Di(1H-imidazol-1-yl)(~13~C)methanone
-
- Inchi: 1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H/i7+1
- InChI Key: PFKFTWBEEFSNDU-CDYZYAPPSA-N
- SMILES: O=[13C](N1C=NC=C1)N1C=NC=C1
Computed Properties
- Exact Mass: 163.05800
- Monoisotopic Mass: 163.05751566g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 166
- 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: -0.2
- Topological Polar Surface Area: 52.7?2
Experimental Properties
- PSA: 52.71000
- LogP: 0.59600
1,1'-Carbonyldiimidazole-13C Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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