| CAS Number | 1248954-00-8 |
| Catalog Number | AG019YZD |
| Chemical Name | [2-(tert-butoxy)-4-methylphenyl]methanamine |
| IUPAC Name | [4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanamine |
| InChI | InChI=1S/C12H19NO/c1-9-5-6-10(8-13)11(7-9)14-12(2,3)4/h5-7H,8,13H2,1-4H3 |
| InChI Key | LJEDHLNIAXJDJD-UHFFFAOYSA-N |
| MDL Number | MFCD16704899 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC1=CC(OC(C)(C)C)=C(CN)C=C1 |
| Synonyms | [2-(tert-butoxy)-4-methylphenyl]methanamine,
1248954-00-8,
ZINC51580855,
AKOS011590472,
MCULE-7264854661,
NE31279,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number