| CAS Number | 1289387-50-3 |
| Catalog Number | AG000YNO(AGN-PC-0WA2B3) |
| Chemical Name | (6-Bromo-pyridin-3-ylmethyl)-cyclopropyl-amine hydrochloride |
| IUPAC Name | N-[(6-bromopyridin-3-yl)methyl]cyclopropanamine |
| InChI | InChI=1S/C9H11BrN2/c10-9-4-1-7(6-12-9)5-11-8-2-3-8/h1,4,6,8,11H,2-3,5H2 |
| InChI Key | AUEORDKZYQTMJT-UHFFFAOYSA-N |
| MDL Number | MFCD18837145 |
| Molecular Formula | C9H11BrN2 |
| Molecular Weight | 227.1010 |
| SMILES | BrC1=CC=C(CNC2CC2)C=N1 |
| Synonyms | 1289387-50-3,
N-((6-Bromopyridin-3-yl)methyl)cyclopropanamine,
(6-Bromo-pyridin-3-ylmethyl)-cyclopropyl-amine,
C9H12BrClN2,
ZINC66322944,
AKOS015940741,
AM91591,
FCH1346355,
AK-51989,
(6-Bromopyridin-3-ylmethyl)cyclopropylamine,
AB1009941,
AJ-115911,
ST24048238,
Z3272,
N-[(6-bromopyridin-3-yl)methyl]cyclopropanamine,hydrochloride,
null,
6-bromo-N-cyclopropyl-3-Pyridinemethanamine,
N-((6-Bromopyridin-3-yl)methyl)cyclopropanamine, 95% - 1G 1g,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.105g/mol |
| Monoisotopic Mass | 226.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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