| CAS Number | 916199-35-4 |
| Catalog Number | AG01AIG9(AGN-PC-0A9YYC) |
| Chemical Name | methyl 4-[4-(aminomethyl)phenoxy]butanoate hydrochloride |
| IUPAC Name | methyl 4-[4-(aminomethyl)phenoxy]butanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO3.ClH/c1-15-12(14)3-2-8-16-11-6-4-10(9-13)5-7-11;/h4-7H,2-3,8-9,13H2,1H3;1H |
| InChI Key | OBJFOEWKLPTBPN-UHFFFAOYSA-N |
| MDL Number | MFCD18839072 |
| Molecular Formula | C12H18ClNO3 |
| Molecular Weight | 259.7292 |
| SMILES | Cl.COC(CCCOC1=CC=C(CN)C=C1)=O |
| Synonyms | methyl 4-[4-(aminomethyl)phenoxy]butanoate hydrochloride,
916199-35-4,
MCULE-2995553510,
NE30484,
EN300-77716,
Z1268152342,
|
| Complexity | 200 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.73g/mol |
| Monoisotopic Mass | 259.098g/mol |
| Rotatable Bond Count | 7 |
| 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