| CAS Number | 149889-64-5 |
| Catalog Number | AG01BEZ9(AGN-PC-04Q048) |
| Chemical Name | 1-(3-(Aminomethyl)phenyl)ethanone hydrochloride |
| IUPAC Name | 1-[3-(aminomethyl)phenyl]ethanone;hydrochloride |
| InChI | InChI=1S/C9H11NO.ClH/c1-7(11)9-4-2-3-8(5-9)6-10;/h2-5H,6,10H2,1H3;1H |
| InChI Key | QOSFANXGSABRGG-UHFFFAOYSA-N |
| MDL Number | MFCD06797821 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | Cl.CC(C1=CC(CN)=CC=C1)=O |
| Synonyms | 149889-64-5,
1-[3-(aminomethyl)phenyl]ethan-1-one hydrochloride,
1-(3-(Aminomethyl)phenyl)ethanone hydrochloride,
SCHEMBL8646493,
3-acetylbenzylamine hydrochloride,
QOSFANXGSABRGG-UHFFFAOYSA-N,
AKOS024258800,
Z2182115422,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number