| CAS Number | 732292-18-1 |
| Catalog Number | AG019M44 |
| Chemical Name | ([4-(Difluoromethoxy)-3-methoxyphenyl]methyl)(methyl)amine |
| IUPAC Name | 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylmethanamine |
| InChI | InChI=1S/C10H13F2NO2/c1-13-6-7-3-4-8(15-10(11)12)9(5-7)14-2/h3-5,10,13H,6H2,1-2H3 |
| InChI Key | QVPRKRPFUOCRID-UHFFFAOYSA-N |
| MDL Number | MFCD04633473 |
| Molecular Formula | C10H13F2NO2 |
| Molecular Weight | 217.2125 |
| SMILES | CNCC1=CC(OC)=C(OC(F)F)C=C1 |
| Synonyms | {[4-(difluoromethoxy)-3-methoxyphenyl]methyl}(methyl)amine,
732292-18-1,
AC1M7ELW,
SCHEMBL296312,
N-[4-(DIFLUOROMETHOXY)-3-METHOXYBENZYL]-N-METHYLAMINE,
ZINC3300992,
MFCD04633473,
AKOS008967031,
MCULE-6906880954,
NE59517,
A1-06063,
Z56957557,
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylmethanamine,
CID2416644,
1-[4-(difluoromethoxy)-3-methoxy-phenyl]-N-methyl-methanamine,
1171183-10-0,
|
| Complexity | 181 |
| 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 | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number