| CAS Number | 1170395-91-1 |
| Catalog Number | AG019N1G |
| Chemical Name | [4-(1-Aminoethyl)-2-methoxyphenoxy]acetic acid hydrochloride |
| IUPAC Name | 2-[4-(1-aminoethyl)-2-methoxyphenoxy]acetic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO4.ClH/c1-7(12)8-3-4-9(10(5-8)15-2)16-6-11(13)14;/h3-5,7H,6,12H2,1-2H3,(H,13,14);1H |
| InChI Key | LTMDOQWZFLDWMK-UHFFFAOYSA-N |
| MDL Number | MFCD11099643 |
| Molecular Formula | C11H16ClNO4 |
| Molecular Weight | 261.7020 |
| SMILES | Cl.COC1=C(OCC(O)=O)C=CC(C(N)C)=C1 |
| Synonyms | 2-[4-(1-aminoethyl)-2-methoxyphenoxy]acetic acid hydrochloride,
1170395-91-1,
[4-(1-aminoethyl)-2-methoxyphenoxy]acetic acid hydrochloride,
AC1Q3C0W,
CTK8F2474,
AKOS034278213,
MCULE-7910757176,
NE56956,
EN300-39152,
Z398556746,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.702g/mol |
| Monoisotopic Mass | 261.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number