Cas no 69218-31-1 (2H-Benzotriazole,2-(1-methylethyl)-(9CI))
69218-31-1 structure
Product Name:2H-Benzotriazole,2-(1-methylethyl)-(9CI)
CAS No:69218-31-1
MF:C9H11N3
MW:161.203741312027
CID:973260
PubChem ID:640724
Update Time:2025-04-19
2H-Benzotriazole,2-(1-methylethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Benzotriazole,2-(1-methylethyl)-(9CI)
- InChI=1/C9H11N3/c1-7(2)12-10-8-5-3-4-6-9(8)11-12/h3-7H,1-2H
- 2H-1,2,3-benzotriazole, 2-(1-methylethyl)-
- SCHEMBL1083857
- 69218-31-1
- 2-isopropyl-2H-1,2,3-benzotriazole
- 2-Isopropyl-2H-benzo[d][1,2,3]triazole
- DB-281752
- 2H-Benzotriazole, 2-(1-methylethyl)-
-
- Inchi： 1S/C9H11N3/c1-7(2)12-10-8-5-3-4-6-9(8)11-12/h3-7H,1-2H3
- InChI Key： TYNHWMHRAXGFGH-UHFFFAOYSA-N
- SMILES： N1(C(C)C)N=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 161.095297364g/mol
- Monoisotopic Mass: 161.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 144
- 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: 2.5
- Topological Polar Surface Area: 30.7?2
2H-Benzotriazole,2-(1-methylethyl)-(9CI) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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