Cas no 756759-10-1 (1H-Imidazole-4-ethanamine,5-(1,1-dimethylethyl)-)
756759-10-1 structure
Product Name:1H-Imidazole-4-ethanamine,5-(1,1-dimethylethyl)-
CAS No:756759-10-1
MF:C9H17N3
MW:167.251381635666
CID:549131
Update Time:2024-03-05
1H-Imidazole-4-ethanamine,5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-ethanamine,5-(1,1-dimethylethyl)-
- 1H-Imidazole-4-ethanamine, 5-(1,1-dimethylethyl)-
-
- Inchi： 1S/C9H17N3/c1-9(2,3)8-7(4-5-10)11-6-12-8/h6H,4-5,10H2,1-3H3,(H,11,12)
- InChI Key： DILAAXAOZPBFDJ-UHFFFAOYSA-N
- SMILES： NCCC1=C(C(C)(C)C)NC=N1
Computed Properties
- Exact Mass: 167.142
- Monoisotopic Mass: 167.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 634
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
- Topological Polar Surface Area: 54.7A^2
1H-Imidazole-4-ethanamine,5-(1,1-dimethylethyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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