| CAS Number | 1193390-32-7 |
| Catalog Number | AG019WJY |
| Chemical Name | 4-[(2-Phenoxyethyl)amino]butanoic acid hydrochloride |
| IUPAC Name | 4-(2-phenoxyethylamino)butanoic acid;hydrochloride |
| InChI | InChI=1S/C12H17NO3.ClH/c14-12(15)7-4-8-13-9-10-16-11-5-2-1-3-6-11;/h1-3,5-6,13H,4,7-10H2,(H,14,15);1H |
| InChI Key | LNHZFBZZQDOBJY-UHFFFAOYSA-N |
| MDL Number | MFCD12913076 |
| Molecular Formula | C12H18ClNO3 |
| Molecular Weight | 259.7292 |
| SMILES | Cl.OC(CCCNCCOC1=CC=CC=C1)=O |
| Synonyms | 4-[(2-phenoxyethyl)amino]butanoic acid hydrochloride,
1193390-32-7,
AC1Q3EZT,
CTK7J3860,
AKOS008103674,
MCULE-5269032170,
NE29553,
EN300-52201,
Z752371232,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.73g/mol |
| Monoisotopic Mass | 259.098g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number