| CAS Number | 1609409-05-3 |
| Catalog Number | AG00J41U(AGN-PC-0WRB0P) |
| Chemical Name | [3-(2,6-dimethylphenoxy)propyl]methylamine hydrochloride |
| IUPAC Name | 3-(2,6-dimethylphenoxy)-N-methylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c1-10-6-4-7-11(2)12(10)14-9-5-8-13-3;/h4,6-7,13H,5,8-9H2,1-3H3;1H |
| InChI Key | ODOOOTBSYKJXRG-UHFFFAOYSA-N |
| MDL Number | MFCD26959501 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | C1(OCCCNC)=C(C)C=CC=C1C.Cl |
| Synonyms | [3-(2,6-Dimethylphenoxy)propyl]methylamine hydrochloride,
1609409-05-3,
ZX-CM018226,
MFCD26959501,
91553-71-8,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.748g/mol |
| Monoisotopic Mass | 229.123g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number