| CAS Number | 35261-05-3 |
| Catalog Number | AG00CZ5R(AGN-PC-0RAP8U) |
| Chemical Name | 5-Amino-3-tert-butyl-1,2-oxazole-4-carbonitrile |
| IUPAC Name | 5-amino-3-tert-butyl-1,2-oxazole-4-carbonitrile |
| InChI | InChI=1S/C8H11N3O/c1-8(2,3)6-5(4-9)7(10)12-11-6/h10H2,1-3H3 |
| InChI Key | CLZSVOLRNQDKDP-UHFFFAOYSA-N |
| MDL Number | MFCD18820448 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | CC(C1C(C#N)=C(N)ON=1)(C)C |
| Synonyms | 35261-05-3,
5-Amino-3-(tert-butyl)isoxazole-4-carbonitrile,
5-Amino-3-tert-butyl-1,2-oxazole-4-carbonitrile,
MFCD18820448,
ZINC39113219,
AKOS022060311,
CS-0038377,
4-Isoxazolecarbonitrile,5-amino-3-(1,1-dimethylethyl)-(9CI),
4-Isoxazolecarbonitrile, 5-amino-3-(1,1-dimethylethyl)- (9CI),
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number