| CAS Number | 91339-51-4 |
| Catalog Number | AG006NRW(AGN-PC-02MNN2) |
| Chemical Name | 2-(2,4-Dimethylphenoxy)-N-Methylethanamine |
| IUPAC Name | 2-(2,4-dimethylphenoxy)-N-methylethanamine |
| InChI | InChI=1S/C11H17NO/c1-9-4-5-11(10(2)8-9)13-7-6-12-3/h4-5,8,12H,6-7H2,1-3H3 |
| InChI Key | VKPQWPROAMZZCA-UHFFFAOYSA-N |
| MDL Number | MFCD08691877 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC1=C(OCCNC)C=CC(=C1)C |
| Synonyms | 2-(2,4-DIMETHYLPHENOXY)-N-METHYLETHANAMINE,
91339-51-4,
SCHEMBL6110598,
CTK5G9384,
DTXSID70602555,
CHEMBRDG-BB 9070505,
ZINC9246075,
ZX-CM017861,
MFCD08691877,
AKOS000343403,
BBV-209136,
AJ-59442,
Y-4516,
2-(2,4-Dimethylphenoxy)-N-methylethan-1-amine,
CHEMBRDG-BB9070505,
|
| Complexity | 138 |
| 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 | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number