| CAS Number | 1228878-65-6 |
| Catalog Number | AG00HH57(AGN-PC-0WCR2J) |
| Chemical Name | (3-Chloropyridin-4-yl)methanamine dihydrochloride |
| IUPAC Name | (3-chloropyridin-4-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C6H7ClN2.2ClH/c7-6-4-9-2-1-5(6)3-8;;/h1-2,4H,3,8H2;2*1H |
| InChI Key | SAUOMNOSAWOBTM-UHFFFAOYSA-N |
| MDL Number | MFCD09028164 |
| Molecular Formula | C6H9Cl3N2 |
| Molecular Weight | 215.5081 |
| SMILES | Cl.Cl.NCC1=C(Cl)C=NC=C1 |
| Synonyms | (3-CHLOROPYRIDIN-4-YL)METHANAMINE DIHYDROCHLORIDE,
1228878-65-6,
MFCD09028164,
AKOS022177912,
C-0412,
(3-chloropyridin-4-yl)methanamine;dihydrochloride,
(3-Chloropyridine-4-yl)methanamine dihydrochloride,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.502g/mol |
| Monoisotopic Mass | 213.983g/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
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