| CAS Number | 210161-73-2 |
| Catalog Number | AG019VGC(AGN-PC-0QX393) |
| Chemical Name | Ethyl 3-amino-3-(3-methoxyphenyl)propanoate hydrochloride |
| IUPAC Name | ethyl 3-amino-3-(3-methoxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO3.ClH/c1-3-16-12(14)8-11(13)9-5-4-6-10(7-9)15-2;/h4-7,11H,3,8,13H2,1-2H3;1H |
| InChI Key | HGZKHFJFAHULCP-UHFFFAOYSA-N |
| MDL Number | MFCD12197160 |
| Molecular Formula | C12H18ClNO3 |
| Molecular Weight | 259.7292 |
| SMILES | Cl.CCOC(CC(C1=CC(OC)=CC=C1)N)=O |
| Synonyms | ethyl 3-amino-3-(3-methoxyphenyl)propanoate hydrochloride,
210161-73-2,
AC1Q39XH,
SCHEMBL7189616,
CTK6F8333,
HGZKHFJFAHULCP-UHFFFAOYSA-N,
AKOS008121075,
MCULE-4024346537,
EN300-45177,
Ethyl 3-Amino-3-(3-methoxyphenyl)-propionate hydrochloride,
|
| Complexity | 220 |
| 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 | 6 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number