| CAS Number | 1017046-27-3 |
| Catalog Number | AG00059G(AGN-PC-0WO1UI) |
| Chemical Name | 2-Tert-butyl-1,3-benzoxazol-5-amine |
| IUPAC Name | 2-tert-butyl-1,3-benzoxazol-5-amine |
| InChI | InChI=1S/C11H14N2O/c1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10/h4-6H,12H2,1-3H3 |
| InChI Key | YAIJJYNDSHDPIB-UHFFFAOYSA-N |
| MDL Number | MFCD09947725 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | CC(C1OC2=C(C=C(C=C2)N)N=1)(C)C |
| Synonyms | 2-tert-butyl-1,3-benzoxazol-5-amine,
1017046-27-3,
5-Amino-2-(tert-butyl)benzoxazole,
AC1Q1MCT,
CTK4A0125,
DTXSID20640947,
ZINC19512439,
AKOS000192607,
MCULE-3055776239,
NE14677,
5-Benzoxazolamine, 2-(1,1-dimethylethyl)-,
EN300-36092,
Z367678524,
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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 | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number