| CAS Number | 539857-01-7 |
| Catalog Number | AG01EIS1(AGN-PC-00GM7I) |
| Chemical Name | 2,4-dibromo-N,N-dimethylnaphthalen-1-amine |
| IUPAC Name | 2,4-dibromo-N,N-dimethylnaphthalen-1-amine |
| InChI | InChI=1S/C12H11Br2N/c1-15(2)12-9-6-4-3-5-8(9)10(13)7-11(12)14/h3-7H,1-2H3 |
| InChI Key | PHAGQBWFZBCAFI-UHFFFAOYSA-N |
| MDL Number | MFCD31559510 |
| Molecular Formula | C12H11Br2N |
| Molecular Weight | 329.0304 |
| SMILES | CN(C1=C2C(C=CC=C2)=C(Br)C=C1Br)C |
| Synonyms | 2,4-dibromo-N,N-dimethylnaphthalen-1-amine,
539857-01-7,
J3.599.132H,
N,N-Dimethyl-2,4-dibromonaphthalene-1-amine,
CID11809630,
2,4-dibromo-N,N-dimethyl-naphthalen-1-amine,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.035g/mol |
| Monoisotopic Mass | 326.926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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