| CAS Number | 99528-15-1 |
| Catalog Number | AG01B1N8(AGN-PC-0IV9F1) |
| Chemical Name | 3-[3-(dimethylamino)phenyl]propanoic acid hydrochloride |
| IUPAC Name | 3-[3-(dimethylamino)phenyl]propanoic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-12(2)10-5-3-4-9(8-10)6-7-11(13)14;/h3-5,8H,6-7H2,1-2H3,(H,13,14);1H |
| InChI Key | OQFRAOZLOAUVJD-UHFFFAOYSA-N |
| MDL Number | MFCD27980946 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CN(C1=CC(CCC(O)=O)=CC=C1)C |
| Synonyms | 3-[3-(dimethylamino)phenyl]propanoic acid hydrochloride,
99528-15-1,
SCHEMBL10411183,
MCULE-1964964543,
NE23503,
Z1809367819,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number