| CAS Number | 915921-58-3 |
| Catalog Number | AG00GTSH(AGN-PC-0WB52D) |
| Chemical Name | 3-(2,3-dimethylphenoxy)-N-methyl-1-propanamine |
| IUPAC Name | 3-(2,3-dimethylphenoxy)-N-methylpropan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-10-6-4-7-12(11(10)2)14-9-5-8-13-3/h4,6-7,13H,5,8-9H2,1-3H3 |
| InChI Key | CBKXZUFRYJGKDB-UHFFFAOYSA-N |
| MDL Number | MFCD08691932 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | C1(C)C(C)=CC=CC=1OCCCNC |
| Synonyms | 915921-58-3,
3-(2,3-DIMETHYLPHENOXY)-N-METHYL-1-PROPANAMINE,
AKOS BC-1937,
3-(2,3-Dimethylphenoxy)-N-methylpropan-1-amine,
CTK5G9985,
DTXSID10629781,
ZX-CM018125,
MFCD08691932,
ZINC19094267,
AKOS004118591,
AJ-72387,
Y-4570,
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| Complexity | 149 |
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number