| CAS Number | 209473-00-7 |
| Catalog Number | AG002K9C(AGN-PC-0QWSYC) |
| Chemical Name | METHANAMINE, N-[4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)-NAPHTHALENYLIDENE]-, N-OXIDE |
| IUPAC Name | 4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine oxide |
| InChI | InChI=1S/C17H15Cl2NO/c1-20(21)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3 |
| InChI Key | CZYYNFHEAXHXGV-UHFFFAOYSA-N |
| Molecular Formula | C17H15Cl2NO |
| Molecular Weight | 320.2131 |
| SMILES | Clc1cc(ccc1Cl)C1CCC(=[N+](C)[O-])c2c1cccc2 |
| Synonyms | 209473-00-7,
CTK4E5518,
DTXSID40725008,
CZYYNFHEAXHXGV-UHFFFAOYSA-N,
METHANAMINE, N-[4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)-NAPHTHALENYLIDENE]-, N-OXIDE,
FT-0700688,
4-(3,4-dichloro phenyl)-3,4-dihydro-N-methyl-1(2H)-naphthalenimine-N-oxide,
4-(3,4-Dichlorophenyl)-N-methyl-3,4-dihydronaphthalen-1(2H)-imine N-oxide,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.213g/mol |
| Monoisotopic Mass | 319.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number