| CAS Number | 23279-67-6 |
| Catalog Number | AG01A4B3(AGN-PC-00O535) |
| Chemical Name | 1-[4-(2-aminoethyl)phenyl]ethan-1-one hydrochloride |
| IUPAC Name | 1-[4-(2-aminoethyl)phenyl]ethanone;hydrochloride |
| InChI | InChI=1S/C10H13NO.ClH/c1-8(12)10-4-2-9(3-5-10)6-7-11;/h2-5H,6-7,11H2,1H3;1H |
| InChI Key | YMKKEUKWLSTFCV-UHFFFAOYSA-N |
| MDL Number | MFCD16619118 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | Cl.CC(C1=CC=C(CCN)C=C1)=O |
| Synonyms | 1-[4-(2-aminoethyl)phenyl]ethan-1-one hydrochloride,
23279-67-6,
1-[4-(2-aminoethyl)phenyl]Ethanone hydrochloride,
SCHEMBL7400678,
YMKKEUKWLSTFCV-UHFFFAOYSA-N,
4-acetylphenethylamine hydrochloride,
NE58409,
DB-019604,
FT-0714450,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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