| CAS Number | 1311314-93-8 |
| Catalog Number | AG01AHH2 |
| Chemical Name | methyl 4-(4-aminophenoxy)butanoate hydrochloride |
| IUPAC Name | methyl 4-(4-aminophenoxy)butanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO3.ClH/c1-14-11(13)3-2-8-15-10-6-4-9(12)5-7-10;/h4-7H,2-3,8,12H2,1H3;1H |
| InChI Key | XZPZNKJZSWRXQX-UHFFFAOYSA-N |
| MDL Number | MFCD18785470 |
| Molecular Formula | C11H16ClNO3 |
| Molecular Weight | 245.7026 |
| SMILES | Cl.COC(CCCOC1=CC=C(N)C=C1)=O |
| Synonyms | methyl 4-(4-aminophenoxy)butanoate hydrochloride,
1311314-93-8,
AKOS008130823,
MCULE-5443004499,
NE25471,
EN300-74728,
Z1266933911,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.703g/mol |
| Monoisotopic Mass | 245.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number