| CAS Number | 915924-19-5 |
| Catalog Number | AG00GSFF(AGN-PC-0WB545) |
| Chemical Name | 3-(2,5-Dimethylphenoxy)-N-methylpropan-1-amine |
| IUPAC Name | 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-10-5-6-11(2)12(9-10)14-8-4-7-13-3/h5-6,9,13H,4,7-8H2,1-3H3 |
| InChI Key | BKBGKOYBQVHGMX-UHFFFAOYSA-N |
| MDL Number | MFCD08691955 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | C1(OCCCNC)C=C(C)C=CC=1C |
| Synonyms | 915924-19-5,
3-(2,5-DIMETHYLPHENOXY)-N-METHYL-1-PROPANAMINE,
AKOS BC-1950,
3-(2,5-Dimethylphenoxy)-N-methylpropan-1-amine,
CTK5H0142,
DTXSID70629787,
ZX-CM018232,
MFCD08691955,
ZINC19094313,
AKOS004118231,
AJ-72406,
Y-4593,
AKOSBC-1950,
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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