Cas no 208450-31-1 (5-Benzoxazolamine,4-methyl-)
5-Benzoxazolamine,4-methyl- structure
Product Name:5-Benzoxazolamine,4-methyl-
CAS No:208450-31-1
MF:C8H8N2O
MW:148.16192150116
CID:242003
PubChem ID:15480133
Update Time:2025-04-19
5-Benzoxazolamine,4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzoxazolamine,4-methyl-
- 5-Benzoxazolamine,4-methyl-(9CI)
- AKOS006353105
- 4-methylbenzo[d]oxazol-5-amine
- 208450-31-1
- VKYBFWVYPFVAEM-UHFFFAOYSA-N
- SCHEMBL8205349
- 5-amino-4-methylbenzoxazole
-
- Inchi: 1S/C8H8N2O/c1-5-6(9)2-3-7-8(5)10-4-11-7/h2-4H,9H2,1H3
- InChI Key: VKYBFWVYPFVAEM-UHFFFAOYSA-N
- SMILES: O1C=NC2=C1C=CC(=C2C)N
Computed Properties
- Exact Mass: 148.06374
- Monoisotopic Mass: 148.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 151
- 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: 1.4
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.05
5-Benzoxazolamine,4-methyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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