| CAS Number | 953898-76-5 |
| Catalog Number | AG019LHE |
| Chemical Name | [1-(2,4-dichlorophenyl)ethyl](methyl)amine |
| IUPAC Name | 1-(2,4-dichlorophenyl)-N-methylethanamine |
| InChI | InChI=1S/C9H11Cl2N/c1-6(12-2)8-4-3-7(10)5-9(8)11/h3-6,12H,1-2H3 |
| InChI Key | WKNOTDFRQWDMPQ-UHFFFAOYSA-N |
| MDL Number | MFCD09734142 |
| Molecular Formula | C9H11Cl2N |
| Molecular Weight | 204.0963 |
| SMILES | CNC(C1=C(Cl)C=C(Cl)C=C1)C |
| Synonyms | [1-(2,4-dichlorophenyl)ethyl](methyl)amine,
N-[1-(2,4-dichlorophenyl)ethyl]-N-methylamine,
953898-76-5,
AC1Q40S8,
SCHEMBL19965517,
CTK6I4614,
AKOS000144759,
AKOS016893133,
MCULE-7348393448,
NE28446,
EN300-31266,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.094g/mol |
| Monoisotopic Mass | 203.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number