| CAS Number | 1461706-66-0 |
| Catalog Number | AG01A71Q |
| Chemical Name | 4-(1-Aminoethyl)-3-fluorobenzonitrile hydrochloride |
| IUPAC Name | 4-(1-aminoethyl)-3-fluorobenzonitrile;hydrochloride |
| InChI | InChI=1S/C9H9FN2.ClH/c1-6(12)8-3-2-7(5-11)4-9(8)10;/h2-4,6H,12H2,1H3;1H |
| InChI Key | IPHUUNLWRXSURM-UHFFFAOYSA-N |
| MDL Number | MFCD25970509 |
| Molecular Formula | C9H10ClFN2 |
| Molecular Weight | 200.6405 |
| SMILES | N#CC1=CC=C(C(N)C)C(F)=C1.[H]Cl |
| Synonyms | 4-(1-aminoethyl)-3-fluorobenzonitrile hydrochloride,
1461706-66-0,
NE52206,
EN300-135241,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.641g/mol |
| Monoisotopic Mass | 200.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number