| CAS Number | 2055841-15-9 |
| Catalog Number | AG002A82(AGN-PC-0WNGSC) |
| Chemical Name | Cyclopropanamine, 2-(4-ethoxy-3-fluorophenyl)-, hydrochloride (1:1), (1R,2S)-rel- |
| IUPAC Name | (1S,2R)-2-(4-ethoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H14FNO.ClH/c1-2-14-11-4-3-7(5-9(11)12)8-6-10(8)13;/h3-5,8,10H,2,6,13H2,1H3;1H/t8-,10+;/m1./s1 |
| InChI Key | FQOUIQLUNLUMEB-SCYNACPDSA-N |
| MDL Number | MFCD30502877 |
| Molecular Formula | C11H15ClFNO |
| Molecular Weight | 231.6943 |
| SMILES | Cl.CCOC1=C(F)C=C(C=C1)[C@H]1C[C@@H]1N |
| Synonyms | (1S,2R)-Rel-2-(4-ethoxy-3-fluorophenyl)cyclopropan-1-amine HCl,
(1S,2R)-rel-2-(4-ethoxy-3-fluorophenyl)cyclopropan-1-amine hydrochloride,
2055841-15-9,
MFCD30502877,
AKOS030627753,
AS-53385,
CS-0053580,
na,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.695g/mol |
| Monoisotopic Mass | 231.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number