| CAS Number | 794566-80-6 |
| Catalog Number | AG01AAGH |
| Chemical Name | 3-(4-TERT-BUTYLPHENYL)-1,2-OXAZOL-5-AMINE |
| IUPAC Name | 3-(4-tert-butylphenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C13H16N2O/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(14)16-15-11/h4-8H,14H2,1-3H3 |
| InChI Key | BDMVJTHOQVOKDB-UHFFFAOYSA-N |
| MDL Number | MFCD07382880 |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.2789 |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)C1=NOC(=C1)N |
| Synonyms | 3-(4-tert-butylphenyl)-1,2-oxazol-5-amine,
794566-80-6,
AC1MQFPD,
AC1Q1M58,
ZINC3704513,
AKOS000261596,
MCULE-8233764811,
NE47295,
SC-61472,
EN300-68546,
CID3451043,
|
| 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 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number