| CAS Number | 918305-74-5 |
| Catalog Number | AG00IL1K(AGN-PC-0VW5L2) |
| Chemical Name | Cyclopropanamine, 2-(6-bromo-3-pyridinyl)-, hydrochloride (1:2),(1R,2S)-rel- |
| IUPAC Name | (1S,2R)-2-(6-bromopyridin-3-yl)cyclopropan-1-amine;dihydrochloride |
| InChI | InChI=1S/C8H9BrN2.2ClH/c9-8-2-1-5(4-11-8)6-3-7(6)10;;/h1-2,4,6-7H,3,10H2;2*1H/t6-,7+;;/m1../s1 |
| InChI Key | XNFRETMLRDXDAC-VJBFUYBPSA-N |
| MDL Number | MFCD30502878 |
| Molecular Formula | C8H11BrCl2N2 |
| Molecular Weight | 285.9963 |
| SMILES | Cl.Cl.BrC1=CC=C(C=N1)[C@@H]1[C@H](C1)N |
| Synonyms | 918305-74-5,
(1S,2R)-rel-2-(6-bromopyridin-3-yl)cyclopropan-1-amine dihydrochloride,
(1S,2R)-Rel-2-(6-bromopyridin-3-yl)cyclopropan-1-amine 2HCl,
(1S,2R)-2-(6-Bromopyridin-3-yl)cyclopropanamine dihydrochloride,
MFCD30502878,
AKOS030627736,
AS-53386,
CS-0053579,
trans-(1S,2R)-2-(6-Bromopyridin-3-yl)cyclopropan-1-amine diHCl,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.994g/mol |
| Monoisotopic Mass | 283.948g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number