| CAS Number | 1432679-07-6 |
| Catalog Number | AG01A4ZN(AGN-PC-0WOVA1) |
| Chemical Name | 1-(5-Fluoropyridin-3-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 1-(5-fluoropyridin-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H9FN2.2ClH/c1-5(9)6-2-7(8)4-10-3-6;;/h2-5H,9H2,1H3;2*1H |
| InChI Key | MRUXZTBZBWCGOI-UHFFFAOYSA-N |
| MDL Number | MFCD24369190 |
| Molecular Formula | C7H11Cl2FN2 |
| Molecular Weight | 213.0800 |
| SMILES | CC(C1=CC(=CN=C1)F)N.Cl.Cl |
| Synonyms | 1-(5-fluoropyridin-3-yl)ethan-1-amine dihydrochloride,
1432679-07-6,
AKOS026744369,
NE56140,
AK544500,
A1-02885,
(S)-1-(5-FLUOROPYRIDIN-3-YL)ETHAN-1-AMINE 2HCL,
(R)-1-(5-Fluoropyridin-3-yl)ethanamine dihydrochloride,
1909288-54-5,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.077g/mol |
| Monoisotopic Mass | 212.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number