| CAS Number | 1016843-36-9 |
| Catalog Number | AG01AGTZ(AGN-PC-0WO2RP) |
| Chemical Name | 2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-amine |
| IUPAC Name | 2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-amine |
| InChI | InChI=1S/C12H16N2O/c1-12(2,3)7-11-14-9-6-8(13)4-5-10(9)15-11/h4-6H,7,13H2,1-3H3 |
| InChI Key | LDPJJOJJEJHGHR-UHFFFAOYSA-N |
| MDL Number | MFCD09941677 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CC(CC1OC2=C(C=C(C=C2)N)N=1)(C)C |
| Synonyms | 2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-amine,
1016843-36-9,
AC1Q1MI8,
ZINC19486072,
AKOS000182499,
MCULE-1379468918,
NE41869,
EN300-72836,
Z1266854862,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number