| CAS Number | 1016711-52-6 |
| Catalog Number | AG01A7K4 |
| Chemical Name | 3-([2-(Propan-2-yloxy)ethoxy]methyl)aniline |
| IUPAC Name | 3-(2-propan-2-yloxyethoxymethyl)aniline |
| InChI | InChI=1S/C12H19NO2/c1-10(2)15-7-6-14-9-11-4-3-5-12(13)8-11/h3-5,8,10H,6-7,9,13H2,1-2H3 |
| InChI Key | GCMRPPMHAHJIIQ-UHFFFAOYSA-N |
| MDL Number | MFCD09806390 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | CC(OCCOCC1=CC(N)=CC=C1)C |
| Synonyms | 3-{[2-(propan-2-yloxy)ethoxy]methyl}aniline,
1016711-52-6,
AC1Q1QSI,
CTK6B1118,
ZINC19280890,
AKOS000156371,
MCULE-3364778049,
NE29599,
EN300-58979,
Z1262237433,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number