| CAS Number | 1156812-33-7 |
| Catalog Number | AG019TOY |
| Chemical Name | 3-[(Tert-butoxy)methyl]-2-methylaniline |
| IUPAC Name | 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline |
| InChI | InChI=1S/C12H19NO/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-7H,8,13H2,1-4H3 |
| InChI Key | AGRRAFIZIRFXQL-UHFFFAOYSA-N |
| MDL Number | MFCD12186488 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC1=C(COC(C)(C)C)C=CC=C1N |
| Synonyms | 3-[(tert-butoxy)methyl]-2-methylaniline,
1156812-33-7,
ZINC35649456,
AKOS009539143,
NE40275,
|
| 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 | 2.2 |
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Certificate of Analysis
Lot Number