| CAS Number | 40023-76-5 |
| Catalog Number | AG019LPP(AGN-PC-0RLGU2) |
| Chemical Name | [1-(3,4-Dichlorophenyl)ethyl](methyl)amine |
| IUPAC Name | 1-(3,4-dichlorophenyl)-N-methylethanamine |
| InChI | InChI=1S/C9H11Cl2N/c1-6(12-2)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3 |
| InChI Key | BNLJAPCCTSVFIC-UHFFFAOYSA-N |
| MDL Number | MFCD09930803 |
| Molecular Formula | C9H11Cl2N |
| Molecular Weight | 204.0963 |
| SMILES | CNC(C1=CC(Cl)=C(Cl)C=C1)C |
| Synonyms | [1-(3,4-dichlorophenyl)ethyl](methyl)amine,
40023-76-5,
Benzenemethanamine, 3,4-dichloro-N,alpha-dimethyl-,
SCHEMBL178624,
BNLJAPCCTSVFIC-UHFFFAOYSA-N,
AKOS000171536,
AKOS017283631,
MCULE-3528697619,
NE32203,
[1-(3,4-dichlorophenyl)ethyl]methylamine,
Z159528194,
|
| 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 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number