Cas no 125533-24-6 (1H-Benzimidazole,2-(3,3-dimethyl-1-triazen-1-yl)-)
125533-24-6 structure
Product Name:1H-Benzimidazole,2-(3,3-dimethyl-1-triazen-1-yl)-
CAS No:125533-24-6
MF:C9H11N5
MW:189.217140436172
CID:103540
Update Time:2024-01-24
1H-Benzimidazole,2-(3,3-dimethyl-1-triazen-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Benzimidazole,2-(3,3-dimethyl-1-triazen-1-yl)-
- 1H-Benzimidazole,2-(3,3-dimethyl-1-triazenyl)-(9CI)
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- Inchi： 1S/C9H11N5/c1-14(2)13-12-9-10-7-5-3-4-6-8(7)11-9/h3-6,13H,1-2H3
- InChI Key： JNYRAXVKGSVBTD-UHFFFAOYSA-N
- SMILES： C1(=N/NN(C)C)/N=C2C=CC=CC2=N/1
Computed Properties
- Exact Mass: 189.10163
- Monoisotopic Mass: 189.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 354
- 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
- Topological Polar Surface Area: 52.4A^2
Experimental Properties
- PSA: 56.64
1H-Benzimidazole,2-(3,3-dimethyl-1-triazen-1-yl)- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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