| CAS Number | 1135028-80-6 |
| Catalog Number | AG01A852 |
| Chemical Name | Ethyl 2-{[(4-fluorophenyl)methyl]amino}acetate hydrochloride |
| IUPAC Name | ethyl 2-[(4-fluorophenyl)methylamino]acetate;hydrochloride |
| InChI | InChI=1S/C11H14FNO2.ClH/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9;/h3-6,13H,2,7-8H2,1H3;1H |
| InChI Key | BYHWLNCLPORUAF-UHFFFAOYSA-N |
| MDL Number | MFCD15209625 |
| Molecular Formula | C11H15ClFNO2 |
| Molecular Weight | 247.6937 |
| NSC Number | 208925 |
| SMILES | Cl.CCOC(CNCC1=CC=C(F)C=C1)=O |
| Synonyms | ethyl 2-{[(4-fluorophenyl)methyl]amino}acetate hydrochloride,
1135028-80-6,
CTK6F9003,
NSC208925,
MCULE-4815449980,
NE32791,
NSC-208925,
EN300-60751,
Z969560722,
AC1Q39XY,
ethyl 2-([(4-fluorophenyl)methyl]amino)acetate hydrochloride,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.077535g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.69g/mol |
| Monoisotopic Mass | 247.077535g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number