Cas no 863399-52-4 (1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)-)
863399-52-4 structure
Product Name:1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)-
CAS No:863399-52-4
MF:C9H13N3
MW:163.219621419907
CID:718484
PubChem ID:23151459
Update Time:2025-04-19
1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)-
- 863399-52-4
- SCHEMBL5446883
- 2-(4-(tert-Butyl)-1H-imidazol-2-yl)acetonitrile
- (4-tert-Butyl-1H-imidazol-2-yl)acetonitrile
- WWLVKEKTUFHDOS-UHFFFAOYSA-N
- 1H-Imidazole-2-acetonitrile, 5-(1,1-dimethylethyl)-
-
- Inchi： 1S/C9H13N3/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4H2,1-3H3,(H,11,12)
- InChI Key： WWLVKEKTUFHDOS-UHFFFAOYSA-N
- SMILES： N1C(CC#N)=NC=C1C(C)(C)C
Computed Properties
- Exact Mass: 163.111
- Monoisotopic Mass: 163.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 196
- 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: 52.5A^2
- XLogP3: 1.5
1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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