| CAS Number | 81253-53-4 |
| Catalog Number | AG01FLE8(AGN-PC-3H4B42) |
| Chemical Name | N-(2-aminoethyl)pyridine-4-carboxamide dihydrochloride |
| IUPAC Name | N-(2-aminoethyl)pyridine-4-carboxamide;dihydrochloride |
| InChI | InChI=1S/C8H11N3O.2ClH/c9-3-6-11-8(12)7-1-4-10-5-2-7;;/h1-2,4-5H,3,6,9H2,(H,11,12);2*1H |
| InChI Key | PXTBBSDHPDZYGD-UHFFFAOYSA-N |
| MDL Number | MFCD08456825 |
| Molecular Formula | C8H13Cl2N3O |
| Molecular Weight | 238.1143 |
| SMILES | Cl.Cl.NCCNC(=O)c1ccncc1 |
| Synonyms | N-(2-Amino-ethyl)-isonicotinamide dihydrochloride,
81253-53-4,
N-(2-Aminoethyl)-4-pyridinecarboxamide dihydrochloride,
N-(2-aminoethyl)pyridine-4-carboxamide dihydrochloride,
SCHEMBL11196887,
CTK7E8846,
AKOS015845952,
F1909-1604,
17704-88-0,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.112g/mol |
| Monoisotopic Mass | 237.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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