| CAS Number | 35253-23-7 |
| Catalog Number | AG019V0P |
| Chemical Name | 1-(5-fluoro-2-methoxyphenyl)ethan-1-amine |
| IUPAC Name | 1-(5-fluoro-2-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C9H12FNO/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6H,11H2,1-2H3 |
| InChI Key | JFNGTRVLHDCFOX-UHFFFAOYSA-N |
| MDL Number | MFCD05215250 |
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.1961 |
| SMILES | COC1=C(C(N)C)C=C(F)C=C1 |
| Synonyms | 1-(5-fluoro-2-methoxyphenyl)ethan-1-amine,
35253-23-7,
1-(5-fluoro-2-methoxyphenyl)ethanamine,
AC1N8X3Z,
SCHEMBL669891,
AC1Q44W7,
CTK7A5802,
AKOS000219949,
AKOS022272143,
MCULE-8893039954,
NE28615,
EN300-43393,
Z1270348121,
CID4401462,
1-(5-fluoro-2-methoxy-phenyl)ethanamine,
1-(5-Fluoro-2-methoxy-phenyl)-ethylamine,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.199g/mol |
| Monoisotopic Mass | 169.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number