| CAS Number | 67358-54-7 |
| Catalog Number | AG00FDP9(AGN-PC-0TO3E6) |
| Chemical Name | 2,4-Dichloro-b-[(2,4-dichlorophenyl)methoxy]benzeneethanamine |
| IUPAC Name | 2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine |
| InChI | InChI=1S/C15H13Cl4NO/c16-10-2-1-9(13(18)5-10)8-21-15(7-20)12-4-3-11(17)6-14(12)19/h1-6,15H,7-8,20H2 |
| InChI Key | UPHHLPHPPMXDGG-UHFFFAOYSA-N |
| MDL Number | MFCD29039567 |
| Molecular Formula | C15H13Cl4NO |
| Molecular Weight | 365.0818 |
| SMILES | ClC1=CC=C(C(Cl)=C1)COC(C2=CC=C(Cl)C=C2Cl)CN |
| Synonyms | 67358-54-7,
2,4-Dichloro-beta-[(2,4-dichlorobenzyl)oxy]phenethylamine,
2,4-dichloro-beta-[(2,4-dichlorophenyl)methoxy]benzeneethanamine,
Miconazole EP impurity C,
UPHHLPHPPMXDGG-UHFFFAOYSA-N,
CS-O-07921,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.075g/mol |
| Monoisotopic Mass | 362.975g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number