| CAS Number | 1040328-99-1 |
| Catalog Number | AG01BHN2 |
| Chemical Name | 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridin-2-amine |
| IUPAC Name | N-(5-bromopyridin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine |
| InChI | InChI=1S/C12H20BrN3/c1-12(2,9-16(3)4)8-15-11-6-5-10(13)7-14-11/h5-7H,8-9H2,1-4H3,(H,14,15) |
| InChI Key | VLBBPTOXIPLAKV-UHFFFAOYSA-N |
| MDL Number | MFCD11125301 |
| Molecular Formula | C12H20BrN3 |
| Molecular Weight | 286.2113 |
| SMILES | CN(CC(CNC1=NC=C(Br)C=C1)(C)C)C |
| Synonyms | 1040328-99-1,
5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridin-2-amine,
N1-(5-Bromopyridin-2-yl)-N3,N3,2,2-tetramethylpropane-1,3-diamine,
ZINC21814255,
{3-[(5-bromopyridin-2-yl)amino]-2,2-dimethylpropyl}dimethylamine,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.217g/mol |
| Monoisotopic Mass | 285.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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