Cas no 419564-12-8 (1H-Benzimidazol-5-ol,2-amino-6-methyl-(9CI))
419564-12-8 structure
Product Name:1H-Benzimidazol-5-ol,2-amino-6-methyl-(9CI)
CAS No:419564-12-8
MF:C8H9N3O
MW:163.176561117172
CID:326627
Update Time:2023-03-30
1H-Benzimidazol-5-ol,2-amino-6-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Benzimidazol-6-ol,2-amino-5-methyl-
- 1H-Benzimidazol-5-ol,2-amino-6-methyl-(9CI)
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- Inchi： 1S/C8H9N3O/c1-4-2-5-6(3-7(4)12)11-8(9)10-5/h2-3,12H,1H3,(H3,9,10,11)
- InChI Key： ILOXYAKWBQAPBX-UHFFFAOYSA-N
- SMILES： C1(N)NC2=CC(C)=C(O)C=C2N=1
Computed Properties
- Exact Mass: 163.075
- Monoisotopic Mass: 163.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- 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: 74.9A^2
1H-Benzimidazol-5-ol,2-amino-6-methyl-(9CI) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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