| CAS Number | 838875-87-9 |
| Catalog Number | AG00544F(AGN-PC-0WB4W0) |
| Chemical Name | 4-(4-(tert-Butyl)phenyl)isoxazol-5-amine |
| IUPAC Name | 4-(4-tert-butylphenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C13H16N2O/c1-13(2,3)10-6-4-9(5-7-10)11-8-15-16-12(11)14/h4-8H,14H2,1-3H3 |
| InChI Key | XVNQLQVQPSTWOJ-UHFFFAOYSA-N |
| MDL Number | MFCD06633635 |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.2789 |
| SMILES | C1(C=NOC=1N)C1=CC=C(C=C1)C(C)(C)C |
| Synonyms | 838875-87-9,
4-(4-TERT-BUTYLPHENYL)-5-ISOXAZOLAMINE,
4-(4-tert-butylphenyl)-1,2-oxazol-5-amine,
4-(4-(tert-Butyl)phenyl)isoxazol-5-amine,
AC1MGIDQ,
CTK5F1374,
DTXSID20388110,
ZINC4839839,
ZX-CM017606,
MFCD06633635,
AKOS022185174,
AJ-52452,
Y-2316,
SR-01000302260,
SR-01000302260-1,
ZINC04839839,
CID2986584,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.284g/mol |
| Monoisotopic Mass | 216.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number