| CAS Number | 954263-76-4 |
| Catalog Number | AG019MZR(AGN-PC-0WCWQG) |
| Chemical Name | 1-[4-(Difluoromethoxy)-3-methoxyphenyl]ethanamine |
| IUPAC Name | 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine |
| InChI | InChI=1S/C10H13F2NO2/c1-6(13)7-3-4-8(15-10(11)12)9(5-7)14-2/h3-6,10H,13H2,1-2H3 |
| InChI Key | BEAWGBQBYFZGAN-UHFFFAOYSA-N |
| MDL Number | MFCD09736887 |
| Molecular Formula | C10H13F2NO2 |
| Molecular Weight | 217.2125 |
| SMILES | COC1=C(OC(F)F)C=CC(C(N)C)=C1 |
| Synonyms | 954263-76-4,
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethan-1-amine,
1-(4-Difluoromethoxy-3-methoxyphenyl)ethylamine,
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine,
AC1Q46DE,
CTK6J6968,
AKOS000142664,
AKOS022482568,
MCULE-7428754439,
NE61286,
EN300-39034,
1-(4-Difluoromethoxy-3-methoxy-phenyl)-ethylamine,
A1-03719,
Z1516115818,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.216g/mol |
| Monoisotopic Mass | 217.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number