| CAS Number | 190190-83-1 |
| Catalog Number | AG00I2SV(AGN-PC-0QJIQ1) |
| Chemical Name | Ethyl 3-amino-3-(4-fluorophenyl)propanoate, HCl |
| IUPAC Name | ethyl 3-amino-3-(4-fluorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H14FNO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H |
| InChI Key | ONYRFCZWESOMQH-UHFFFAOYSA-N |
| MDL Number | MFCD02663239 |
| Molecular Formula | C11H15ClFNO2 |
| Molecular Weight | 247.6937 |
| SMILES | Cl.CCOC(CC(C1=CC=C(F)C=C1)N)=O |
| Synonyms | ethyl 3-amino-3-(4-fluorophenyl)propanoate hydrochloride,
190190-83-1,
Ethyl 3-amino-3-(4-fluorophenyl)propanoate, HCl,
AC1Q39XJ,
SCHEMBL7344481,
CTK6F8315,
KM4207,
MFCD02110612,
AKOS001475857,
MCULE-9951765466,
EN300-56217,
SR-01000529752,
Ethyl 3-amino-3-(4-fluorophenyl)propanoate (HCl),
SR-01000529752-1,
Benzenepropanoic acid, b-amino-4-fluoro-, ethyl ester, hydrochloride,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.694g/mol |
| Monoisotopic Mass | 247.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number