| CAS Number | 1172940-80-5 |
| Catalog Number | AG019UZD |
| Chemical Name | 3-{[(2-Chlorophenyl)methyl]amino}propanoic acid hydrochloride |
| IUPAC Name | 3-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c11-9-4-2-1-3-8(9)7-12-6-5-10(13)14;/h1-4,12H,5-7H2,(H,13,14);1H |
| InChI Key | RHFXDKTYJSDZGI-UHFFFAOYSA-N |
| MDL Number | MFCD11858047 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | Cl.OC(CCNCC1=C(Cl)C=CC=C1)=O |
| Synonyms | 3-{[(2-chlorophenyl)methyl]amino}propanoic acid hydrochloride,
1172940-80-5,
AC1Q3F06,
CTK7J4392,
AKOS008022907,
MCULE-9871996658,
NE15329,
EN300-43296,
3-([(2-chlorophenyl)methyl]amino)propanoic acid hydrochloride,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.119g/mol |
| Monoisotopic Mass | 249.032g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number