| CAS Number | 94319-86-5 |
| Catalog Number | AG01B1RX(AGN-PC-0W3X9D) |
| Chemical Name | N-(2-aminoethyl)-3,4-dichlorobenzamide hydrochloride |
| IUPAC Name | N-(2-aminoethyl)-3,4-dichlorobenzamide;hydrochloride |
| InChI | InChI=1S/C9H10Cl2N2O.ClH/c10-7-2-1-6(5-8(7)11)9(14)13-4-3-12;/h1-2,5H,3-4,12H2,(H,13,14);1H |
| InChI Key | OMEOVGDODNQWCW-UHFFFAOYSA-N |
| MDL Number | MFCD27980970 |
| Molecular Formula | C9H11Cl3N2O |
| Molecular Weight | 269.5554 |
| SMILES | Cl.NCCNC(C1=CC(Cl)=C(Cl)C=C1)=O |
| Synonyms | N-(2-aminoethyl)-3,4-dichlorobenzamide hydrochloride,
94319-86-5,
SCHEMBL9585156,
NE49263,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.55g/mol |
| Monoisotopic Mass | 267.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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