Cas no 55833-06-2 (1,2-dibenzylpyrazol-1-ium;bromide)
55833-06-2 structure
Product Name:1,2-dibenzylpyrazol-1-ium;bromide
CAS No:55833-06-2
MF:C17H17BrN2
MW:329.234283208847
CID:1595679
PubChem ID:10544303
Update Time:2025-04-21
1,2-dibenzylpyrazol-1-ium;bromide Chemical and Physical Properties
Names and Identifiers
-
- 1,2-dibenzylpyrazol-1-ium;bromide
- AGN-PC-0N6AYQ
- NSC80270
- NSC-80270
- 55833-06-2
- DTXSID90441584
-
- Inchi： 1S/C17H17N2.BrH/c1-3-8-16(9-4-1)14-18-12-7-13-19(18)15-17-10-5-2-6-11-17;/h1-13H,14-15H2;1H/q+1;/p-1
- InChI Key： URWRBMHVCLTLAQ-UHFFFAOYSA-M
- SMILES： [Br-].[N+]1(=CC=CN1CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 249.13931
- Monoisotopic Mass: 328.05751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 8.8?2
Experimental Properties
- PSA: 8.81
1,2-dibenzylpyrazol-1-ium;bromide Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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