| CAS Number | 1414029-51-8 |
| Catalog Number | AG009X5O(AGN-PC-0WAECF) |
| Chemical Name | N,N-Dimethyl 4-bromo-3-nitrobenzylamine |
| IUPAC Name | 1-(4-bromo-3-nitrophenyl)-N,N-dimethylmethanamine |
| InChI | InChI=1S/C9H11BrN2O2/c1-11(2)6-7-3-4-8(10)9(5-7)12(13)14/h3-5H,6H2,1-2H3 |
| InChI Key | ZIYYEEOESKIGRR-UHFFFAOYSA-N |
| MDL Number | MFCD22574936 |
| Molecular Formula | C9H11BrN2O2 |
| Molecular Weight | 259.0998 |
| SMILES | O=[N+](C1=CC(CN(C)C)=CC=C1Br)[O-] |
| Synonyms | N,N-Dimethyl 4-bromo-3-nitrobenzylamine,
1414029-51-8,
KS-00000TBP,
MFCD22574936,
ZINC95217836,
DS-9854,
AK196945,
V3101,
[(4-bromo-3-nitrophenyl)methyl]dimethylamine,
C9H11BrN2O2,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.103g/mol |
| Monoisotopic Mass | 258g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number