| CAS Number | 90389-20-1 |
| Catalog Number | AG019W7I(AGN-PC-01EMIZ) |
| Chemical Name | [(3,4-Dichlorophenyl)methyl](ethyl)amine hydrochloride |
| IUPAC Name | N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-3-4-8(10)9(11)5-7;/h3-5,12H,2,6H2,1H3;1H |
| InChI Key | HASMVVHCPCKYTJ-UHFFFAOYSA-N |
| MDL Number | MFCD07110195 |
| Molecular Formula | C9H12Cl3N |
| Molecular Weight | 240.5573 |
| SMILES | Cl.CCNCC1=CC(Cl)=C(Cl)C=C1 |
| Synonyms | [(3,4-dichlorophenyl)methyl](ethyl)amine hydrochloride,
90389-20-1,
AC1Q39VI,
CHEMBL13401,
SCHEMBL18130602,
CTK8F2234,
AKOS008045525,
MCULE-2157657913,
NE27904,
EN300-50961,
A1-06779,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.552g/mol |
| Monoisotopic Mass | 239.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number