| CAS Number | 158091-34-0 |
| Catalog Number | AG01BILT |
| Chemical Name | 2-[(tert-Butoxy)methyl]aniline |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxymethyl]aniline |
| InChI | InChI=1S/C11H17NO/c1-11(2,3)13-8-9-6-4-5-7-10(9)12/h4-7H,8,12H2,1-3H3 |
| InChI Key | IGJIETRWZSZJQU-UHFFFAOYSA-N |
| MDL Number | MFCD11196309 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(OCC1=C(N)C=CC=C1)(C)C |
| Synonyms | 2-[(tert-butoxy)methyl]aniline,
158091-34-0,
SCHEMBL18185026,
ZINC20507450,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number