| CAS Number | 112357-06-9 |
| Catalog Number | AG0095LK(AGN-PC-05JARK) |
| Chemical Name | N1-(5-Bromopyridin-2-yl)-N2,N2-dimethylethane-1,2-diamine |
| IUPAC Name | N-(5-bromopyridin-2-yl)-N',N'-dimethylethane-1,2-diamine |
| InChI | InChI=1S/C9H14BrN3/c1-13(2)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,5-6H2,1-2H3,(H,11,12) |
| InChI Key | YZNKVSIFLBFINU-UHFFFAOYSA-N |
| MDL Number | MFCD11125892 |
| Molecular Formula | C9H14BrN3 |
| Molecular Weight | 244.1316 |
| SMILES | CN(CCNC1=NC=C(Br)C=C1)C |
| Synonyms | 112357-06-9,
N1-(5-Bromo-2-pyridinyl)-N2,N2-dimethyl-1,2-ethanediamine,
N1-(5-Bromopyridin-2-yl)-N2,N2-dimethylethane-1,2-diamine,
C9H14BrN3,
SCHEMBL15828790,
CTK6I0974,
8939AC,
ZINC22148181,
AKOS009227731,
AM87588,
AJ-81155,
{2-[(5-bromopyridin-2-yl)amino]ethyl}dimethylamine,
5-bromo-N-[2-(dimethylamino)ethyl]pyridin-2-amine,
Z1583328690,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.136g/mol |
| Monoisotopic Mass | 243.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number