| CAS Number | 91250-98-5 |
| Catalog Number | AG01BHO1 |
| Chemical Name | 5-bromo-N-[2-(diethylamino)ethyl]pyridin-2-amine |
| IUPAC Name | N-(5-bromopyridin-2-yl)-N',N'-diethylethane-1,2-diamine |
| InChI | InChI=1S/C11H18BrN3/c1-3-15(4-2)8-7-13-11-6-5-10(12)9-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14) |
| InChI Key | MLAHKVJMGQVNMJ-UHFFFAOYSA-N |
| MDL Number | MFCD11124557 |
| Molecular Formula | C11H18BrN3 |
| Molecular Weight | 272.1847 |
| SMILES | CCN(CCNC1=NC=C(Br)C=C1)CC |
| Synonyms | {2-[(5-bromopyridin-2-yl)amino]ethyl}diethylamine,
91250-98-5,
ZINC21805625,
AKOS009227234,
5-bromo-N-[2-(diethylamino)ethyl]pyridin-2-amine,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.19g/mol |
| Monoisotopic Mass | 271.068g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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