| CAS Number | 885370-46-7 |
| Catalog Number | AG01AJEE(AGN-PC-0A9ZJQ) |
| Chemical Name | 3-bromo-N-pentylpyridin-2-amine |
| IUPAC Name | 3-bromo-N-pentylpyridin-2-amine |
| InChI | InChI=1S/C10H15BrN2/c1-2-3-4-7-12-10-9(11)6-5-8-13-10/h5-6,8H,2-4,7H2,1H3,(H,12,13) |
| InChI Key | KGQLDOCYSOTQOQ-UHFFFAOYSA-N |
| MDL Number | MFCD14695075 |
| Molecular Formula | C10H15BrN2 |
| Molecular Weight | 243.1435 |
| SMILES | CCCCCNC1=C(Br)C=CC=N1 |
| Synonyms | 3-bromo-N-pentylpyridin-2-amine,
885370-46-7,
SCHEMBL11666495,
ZINC48759118,
AKOS008146320,
MCULE-3796260376,
NE20892,
EN300-80505,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.148g/mol |
| Monoisotopic Mass | 242.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number