| CAS Number | 402832-76-2 |
| Catalog Number | AG00CLOW(AGN-PC-03LGZD) |
| Chemical Name | 2-(2-fluoro-4-methoxyphenyl)ethan-1-amine |
| IUPAC Name | 2-(2-fluoro-4-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C9H12FNO/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,6H,4-5,11H2,1H3 |
| InChI Key | ZCGYIRXIAQVDFM-UHFFFAOYSA-N |
| MDL Number | MFCD08449040 |
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.1961 |
| SMILES | COC1=CC(F)=C(CCN)C=C1 |
| Synonyms | 402832-76-2,
2-(2-fluoro-4-methoxyphenyl)ethanamine,
2-(2-fluoro-4-methoxy-phenyl)-ethylamine,
2-(2-fluoro-4-methoxyphenyl)ethan-1-amine,
SCHEMBL3318610,
ZCGYIRXIAQVDFM-UHFFFAOYSA-N,
ZINC44396764,
AKOS006290404,
NE42505,
Benzeneethanamine, 2-fluoro-4-methoxy-,
2-(2-Fluoro-4-methoxyphenyl)ethanamine HCl,
FT-0737402,
10531-80-3,
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| Complexity | 132 |
| 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 | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number