| CAS Number | 1193389-52-4 |
| Catalog Number | AG019WMZ |
| Chemical Name | 4-{[(4-chlorophenyl)methyl]amino}butanoic acid hydrochloride |
| IUPAC Name | 4-[(4-chlorophenyl)methylamino]butanoic acid;hydrochloride |
| InChI | InChI=1S/C11H14ClNO2.ClH/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(14)15;/h3-6,13H,1-2,7-8H2,(H,14,15);1H |
| InChI Key | FHQVURHGELGJLT-UHFFFAOYSA-N |
| MDL Number | MFCD12913113 |
| Molecular Formula | C11H15Cl2NO2 |
| Molecular Weight | 264.1483 |
| SMILES | Cl.OC(CCCNCC1=CC=C(Cl)C=C1)=O |
| Synonyms | 4-{[(4-chlorophenyl)methyl]amino}butanoic acid hydrochloride,
1193389-52-4,
AC1Q3EZQ,
CTK7J3836,
MCULE-3140273611,
NE15642,
EN300-52451,
Z763367840,
4-([(4-chlorophenyl)methyl]amino)butanoic acid hydrochloride,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.146g/mol |
| Monoisotopic Mass | 263.048g/mol |
| Rotatable Bond Count | 6 |
| 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