| CAS Number | 1172479-10-5 |
| Catalog Number | AG019UYC |
| Chemical Name | 3-{[(4-chlorophenyl)methyl]amino}propanoic acid hydrochloride |
| IUPAC Name | 3-[(4-chlorophenyl)methylamino]propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c11-9-3-1-8(2-4-9)7-12-6-5-10(13)14;/h1-4,12H,5-7H2,(H,13,14);1H |
| InChI Key | HLAILPIZHMVJGM-UHFFFAOYSA-N |
| MDL Number | MFCD11858031 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | O=C(O)CCNCC1=CC=C(Cl)C=C1.[H]Cl |
| Synonyms | 3-{[(4-chlorophenyl)methyl]amino}propanoic acid hydrochloride,
1172479-10-5,
AC1Q3F08,
CTK7J4378,
AKOS008022802,
MCULE-1115726045,
NE32456,
EN300-43196,
3-([(4-chlorophenyl)methyl]amino)propanoic acid hydrochloride,
|
| Complexity | 179 |
| 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