| CAS Number | 1420810-39-4 |
| Catalog Number | AG00HWAY(AGN-PC-0WG40A) |
| Chemical Name | 1-(Pyrimidin-2-Yl)Pyrrolidin-3-Amine Dihydrochloride |
| IUPAC Name | 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride |
| InChI | InChI=1S/C8H12N4.2ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;;/h1,3-4,7H,2,5-6,9H2;2*1H |
| InChI Key | HDEIFSHZQSDEJM-UHFFFAOYSA-N |
| MDL Number | MFCD28388712 |
| Molecular Formula | C8H13ClN4 |
| Molecular Weight | 200.6686 |
| SMILES | NC1CCN(C1)c1ncccn1.Cl |
| Synonyms | 1-(pyrimidin-2-yl)pyrrolidin-3-amine dihydrochloride,
1420810-39-4,
1-(Pyrimidin-2-yl)pyrrolidin-3-amine 2HCl,
MFCD28388712,
AKOS026747979,
2098048-53-2,
CS-0058673,
F2167-2717,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.128g/mol |
| Monoisotopic Mass | 236.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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