| CAS Number | 1248775-08-7 |
| Catalog Number | AG01B1R6 |
| Chemical Name | [2-(3,4-dichlorophenoxy)butyl](methyl)amine |
| IUPAC Name | 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine |
| InChI | InChI=1S/C11H15Cl2NO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3 |
| InChI Key | COARTXZNHUMTTK-UHFFFAOYSA-N |
| MDL Number | MFCD16764733 |
| Molecular Formula | C11H15Cl2NO |
| Molecular Weight | 248.1489 |
| SMILES | CCC(OC1=CC(Cl)=C(Cl)C=C1)CNC |
| Synonyms | [2-(3,4-dichlorophenoxy)butyl](methyl)amine,
1248775-08-7,
AKOS011773071,
MCULE-6544669834,
NE16087,
Z1809263564,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.147g/mol |
| Monoisotopic Mass | 247.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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