| CAS Number | 125197-40-2 |
| Catalog Number | AG000NCB |
| Chemical Name | 3-Pyrrolidinamine, 4-fluoro-, hydrochloride (1:2), (3R,4R)-rel- |
| IUPAC Name | (3R,4R)-4-fluoropyrrolidin-3-amine;dihydrochloride |
| InChI | InChI=1S/C4H9FN2.2ClH/c5-3-1-7-2-4(3)6;;/h3-4,7H,1-2,6H2;2*1H/t3-,4-;;/m1../s1 |
| InChI Key | AWFXFFCLESETAV-XWJKVJTJSA-N |
| MDL Number | MFCD18836455 |
| Molecular Formula | C4H11Cl2FN2 |
| Molecular Weight | 177.0479 |
| SMILES | N[C@@H]1CNC[C@H]1F.[H]Cl.[H]Cl |
| Synonyms | 125197-40-2,
CS-16290,
rel-(3R,4R)-4-Fluoropyrrolidin-3-amine dihydrochloride,
(3R,4R)-4-Fluoropyrrolidin-3-amine;dihydrochloride,
3-Pyrrolidinamine, 4-fluoro-, dihydrochloride, trans- (9CI),
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| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.028332g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.05g/mol |
| Monoisotopic Mass | 176.028332g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number