| CAS Number | 851903-83-8 |
| Catalog Number | AG019O2E |
| Chemical Name | N-(3-Fluoro-4-methoxybenzyl)ethanamine |
| IUPAC Name | N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine |
| InChI | InChI=1S/C10H14FNO/c1-3-12-7-8-4-5-10(13-2)9(11)6-8/h4-6,12H,3,7H2,1-2H3 |
| InChI Key | YUQKHUYWHKNITB-UHFFFAOYSA-N |
| MDL Number | MFCD06655347 |
| Molecular Formula | C10H14FNO |
| Molecular Weight | 183.2227 |
| SMILES | CCNCC1=CC(F)=C(OC)C=C1 |
| Synonyms | ethyl[(3-fluoro-4-methoxyphenyl)methyl]amine,
N-(3-fluoro-4-methoxybenzyl)ethanamine,
851903-83-8,
AC1NLPWT,
AC1Q31KZ,
CTK6F2361,
ZINC4205443,
AKOS008987415,
MCULE-3266992716,
EN300-12561,
N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine,
Z85956705,
CID4961967,
N-[(3-fluoro-4-methoxy-phenyl)methyl]ethanamine,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.226g/mol |
| Monoisotopic Mass | 183.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number