| CAS Number | 915920-90-0 |
| Catalog Number | AG006TEY(AGN-PC-0WB52K) |
| Chemical Name | 2-(3-Isopropylphenoxy)-N-methylethanamine |
| IUPAC Name | N-methyl-2-(3-propan-2-ylphenoxy)ethanamine |
| InChI | InChI=1S/C12H19NO/c1-10(2)11-5-4-6-12(9-11)14-8-7-13-3/h4-6,9-10,13H,7-8H2,1-3H3 |
| InChI Key | GVDLSLFIXNOTER-UHFFFAOYSA-N |
| MDL Number | MFCD08691948 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | C1(C=CC=C(OCCNC)C=1)C(C)C |
| Synonyms | 2-(3-ISOPROPYLPHENOXY)-N-METHYLETHANAMINE,
915920-90-0,
CTK5G9944,
DTXSID60651118,
CHEMBRDG-BB 9071359,
ZX-CM018199,
MFCD08691948,
ZINC19094299,
AKOS009274181,
AJ-72399,
Y-4586,
N-Methyl-2-[3-(propan-2-yl)phenoxy]ethan-1-amine,
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| Complexity | 147 |
| 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 | 5 |
| 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