| CAS Number | 926251-52-7 |
| Catalog Number | AG01AIDA |
| Chemical Name | 1-(2-fluoro-4,5-dimethoxyphenyl)ethan-1-amine |
| IUPAC Name | 1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine |
| InChI | InChI=1S/C10H14FNO2/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-6H,12H2,1-3H3 |
| InChI Key | XXTAHPCJRMPZFE-UHFFFAOYSA-N |
| MDL Number | MFCD09041441 |
| Molecular Formula | C10H14FNO2 |
| Molecular Weight | 199.2221 |
| SMILES | COC1=C(OC)C=C(C(N)C)C(F)=C1 |
| Synonyms | 1-(2-fluoro-4,5-dimethoxyphenyl)ethan-1-amine,
926251-52-7,
CTK6J5362,
AKOS000123716,
NE19128,
EN300-77469,
1-(2-FLUORO-4,5-DIMETHOXYPHENYL)ETHANAMINE,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.225g/mol |
| Monoisotopic Mass | 199.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number