Cas no 1936654-69-1 (5-(3-Aminophenyl)oxazol-2-amine)
1936654-69-1 structure
Product Name:5-(3-Aminophenyl)oxazol-2-amine
CAS No:1936654-69-1
MF:C9H9N3O
MW:175.187261343002
CID:5707053
PubChem ID:89394056
Update Time:2023-10-15
5-(3-Aminophenyl)oxazol-2-amine Chemical and Physical Properties
Names and Identifiers
-
- 5-(3-Aminophenyl)oxazol-2-amine
- SCHEMBL14650182
- 1936654-69-1
- 2-Oxazolamine, 5-(3-aminophenyl)-
-
- Inchi： 1S/C9H9N3O/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,10H2,(H2,11,12)
- InChI Key： YFIYKKRGWYMNQJ-UHFFFAOYSA-N
- SMILES： O1C(N)=NC=C1C1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 175.074561919g/mol
- Monoisotopic Mass: 175.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- 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
- XLogP3: 1
- Topological Polar Surface Area: 78.1?2
Experimental Properties
- Density: 1.294±0.06 g/cm3(Predicted)
- Boiling Point: 440.2±47.0 °C(Predicted)
- pka: 4.11±0.13(Predicted)
5-(3-Aminophenyl)oxazol-2-amine Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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