| CAS Number | 1181458-22-9 |
| Catalog Number | AG019VGJ |
| Chemical Name | 4-{[(3-fluorophenyl)methyl]amino}butanoic acid hydrochloride |
| IUPAC Name | 4-[(3-fluorophenyl)methylamino]butanoic acid;hydrochloride |
| InChI | InChI=1S/C11H14FNO2.ClH/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(14)15;/h1,3-4,7,13H,2,5-6,8H2,(H,14,15);1H |
| InChI Key | OAKHLBPOMZNDRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12197162 |
| Molecular Formula | C11H15ClFNO2 |
| Molecular Weight | 247.6937 |
| SMILES | Cl.OC(CCCNCC1=CC(F)=CC=C1)=O |
| Synonyms | 4-{[(3-fluorophenyl)methyl]amino}butanoic acid hydrochloride,
1181458-22-9,
AC1Q3EZP,
CTK7J3847,
MCULE-6237561108,
NE40424,
EN300-45184,
Z594038296,
4-([(3-fluorophenyl)methyl]amino)butanoic acid hydrochloride,
|
| Complexity | 199 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.694g/mol |
| Monoisotopic Mass | 247.078g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number