| CAS Number | 1197727-00-6 |
| Catalog Number | AG019X09 |
| Chemical Name | 2-[4-(2-aminoethyl)phenoxy]-N-(3-methylphenyl)acetamide hydrochloride |
| IUPAC Name | 2-[4-(2-aminoethyl)phenoxy]-N-(3-methylphenyl)acetamide;hydrochloride |
| InChI | InChI=1S/C17H20N2O2.ClH/c1-13-3-2-4-15(11-13)19-17(20)12-21-16-7-5-14(6-8-16)9-10-18;/h2-8,11H,9-10,12,18H2,1H3,(H,19,20);1H |
| InChI Key | WPFCWTRAMCOHPW-UHFFFAOYSA-N |
| MDL Number | MFCD13195924 |
| Molecular Formula | C17H21ClN2O2 |
| Molecular Weight | 320.8138 |
| SMILES | Cl.CC1=CC(NC(COC2=CC=C(CCN)C=C2)=O)=CC=C1 |
| Synonyms | 2-[4-(2-aminoethyl)phenoxy]-N-(3-methylphenyl)acetamide hydrochloride,
1197727-00-6,
AC1Q39FG,
CTK7E7477,
MCULE-1289319483,
NE28262,
EN300-53684,
Z812516996,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.817g/mol |
| Monoisotopic Mass | 320.129g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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