| CAS Number | 1346242-32-7 |
| Catalog Number | AG009E77(AGN-PC-0WBNNX) |
| Chemical Name | (aS)-N,N,a-Trimethyl-3-(4-nitrophenoxy)benzenemethanamine |
| IUPAC Name | (1S)-N,N-dimethyl-1-[3-(4-nitrophenoxy)phenyl]ethanamine |
| InChI | InChI=1S/C16H18N2O3/c1-12(17(2)3)13-5-4-6-16(11-13)21-15-9-7-14(8-10-15)18(19)20/h4-12H,1-3H3/t12-/m0/s1 |
| InChI Key | IGNXGHWUJLKYJA-LBPRGKRZSA-N |
| MDL Number | MFCD29045745 |
| Molecular Formula | C16H18N2O3 |
| Molecular Weight | 286.3257 |
| SMILES | CN([C@@H](C)C1=CC(=CC=C1)OC1=CC=C(C=C1)[N+](=O)[O-])C |
| UNII | HM1505E3C7 |
| Synonyms | UNII-HM1505E3C7,
1346242-32-7,
HM1505E3C7,
N,N-Dimethyl-1-(3-(4-nitrophenoxy)phenyl)ethanamine, (S)-,
Rivastigmine tartrate impurity, ether impurity- [USP],
(S)-N,N-Dimethyl-1-(3-(4-nitrophenoxy)phenyl)ethanamine,
Benzenemethanamine, N,N,alpha-trimethyl-3-(4-nitrophenoxy)-, (alphaS)-,
(alphaS)-N,N,alpha-Trimethyl-3-(4-nitrophenoxy)benzenemethanamine,
(aS)-N,N,alpha-Trimethyl-3-(4-nitrophenoxy)benzenemethanamine,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.331g/mol |
| Monoisotopic Mass | 286.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number