| CAS Number | 953891-36-6 |
| Catalog Number | AG019LKJ |
| Chemical Name | tert-butyl[(2,5-dimethoxyphenyl)methyl]amine |
| IUPAC Name | N-[(2,5-dimethoxyphenyl)methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C13H21NO2/c1-13(2,3)14-9-10-8-11(15-4)6-7-12(10)16-5/h6-8,14H,9H2,1-5H3 |
| InChI Key | IANAEYZIBWBLPA-UHFFFAOYSA-N |
| MDL Number | MFCD09735550 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| SMILES | COC1=CC(CNC(C)(C)C)=C(OC)C=C1 |
| Synonyms | tert-butyl[(2,5-dimethoxyphenyl)methyl]amine,
N-(tert-butyl)-N-(2,5-dimethoxybenzyl)amine,
953891-36-6,
AC1Q48GP,
SCHEMBL14271357,
CTK7A6295,
ZINC20282389,
AKOS000142970,
MCULE-4070516013,
NE14349,
EN300-31579,
F1911-1693,
Z401793936,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.316g/mol |
| Monoisotopic Mass | 223.157g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number