| CAS Number | 1000933-11-8 |
| Catalog Number | AG019LHS(AGN-PC-0WOAN6) |
| Chemical Name | N-(2-aminoethyl)-4,5-dibromo-1-methyl-1H-pyrrole-2-carboxamide |
| IUPAC Name | N-(2-aminoethyl)-4,5-dibromo-1-methylpyrrole-2-carboxamide |
| InChI | InChI=1S/C8H11Br2N3O/c1-13-6(4-5(9)7(13)10)8(14)12-3-2-11/h4H,2-3,11H2,1H3,(H,12,14) |
| InChI Key | CTPZYAIWMMFGQE-UHFFFAOYSA-N |
| MDL Number | MFCD09971454 |
| Molecular Formula | C8H11Br2N3O |
| Molecular Weight | 325.0004 |
| SMILES | CN1C(C(NCCN)=O)=CC(Br)=C1Br |
| Synonyms | N-(2-aminoethyl)-4,5-dibromo-1-methyl-1H-pyrrole-2-carboxamide,
1000933-11-8,
AC1Q3XZT,
CTK7E8755,
ZINC20282190,
AKOS026729498,
MCULE-8371911496,
NE58308,
EN300-31303,
Z324553048,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.004g/mol |
| Monoisotopic Mass | 322.927g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number