| CAS Number | 915920-66-0 |
| Catalog Number | AG00GTS4(AGN-PC-0WB501) |
| Chemical Name | 2-(2,5-Dimethylphenoxy)-N-methylethanamine |
| IUPAC Name | 2-(2,5-dimethylphenoxy)-N-methylethanamine |
| InChI | InChI=1S/C11H17NO/c1-9-4-5-10(2)11(8-9)13-7-6-12-3/h4-5,8,12H,6-7H2,1-3H3 |
| InChI Key | PATJXNMKSSCRKQ-UHFFFAOYSA-N |
| MDL Number | MFCD08691890 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | C1(OCCNC)C=C(C)C=CC=1C |
| Synonyms | 915920-66-0,
2-(2,5-DIMETHYLPHENOXY)-N-METHYLETHANAMINE,
AKOS BC-1951,
CTK5G9926,
DTXSID30629788,
ZX-CM017918,
MFCD08691890,
ZINC19094161,
AKOS004118258,
BBV-208191,
AJ-72349,
Y-4528,
2-(2,5-Dimethylphenoxy)-N-methylethan-1-amine,
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| 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 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number