| CAS Number | 538321-84-5 |
| Catalog Number | AG01A9C7(AGN-PC-05FVZ9) |
| Chemical Name | {3-[(Tert-butoxy)methyl]phenyl}methanamine |
| IUPAC Name | [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine |
| InChI | InChI=1S/C12H19NO/c1-12(2,3)14-9-11-6-4-5-10(7-11)8-13/h4-7H,8-9,13H2,1-3H3 |
| InChI Key | IAYSBEGIEJQAPN-UHFFFAOYSA-N |
| MDL Number | MFCD11196426 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC(OCC1=CC(CN)=CC=C1)(C)C |
| Synonyms | {3-[(tert-butoxy)methyl]phenyl}methanamine,
538321-84-5,
AC1Q1NH6,
SCHEMBL14115730,
CTK8E2966,
ZINC20508632,
AKOS008119114,
MCULE-1372433532,
NE35093,
TX-015741,
EN300-64694,
Z1262396006,
|
| Complexity | 162 |
| 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 | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number