| CAS Number | 72627-93-1 |
| Catalog Number | AG00IM7T(AGN-PC-0U12ON) |
| Chemical Name | 3-Pyridinecarboxamide, N-(2-aminoethyl)-, dihydrochloride |
| IUPAC Name | N-(2-aminoethyl)pyridine-3-carboxamide;dihydrochloride |
| InChI | InChI=1S/C8H11N3O.2ClH/c9-3-5-11-8(12)7-2-1-4-10-6-7;;/h1-2,4,6H,3,5,9H2,(H,11,12);2*1H |
| InChI Key | PQIXVULTTAHETE-UHFFFAOYSA-N |
| MDL Number | MFCD03161175 |
| Molecular Formula | C8H13Cl2N3O |
| Molecular Weight | 238.1143 |
| SMILES | C(NCCN)(=O)C1=CC=CN=C1.Cl.Cl |
| Synonyms | N-(2-aminoethyl)nicotinamide dihydrochloride,
SG 1842,
SG 1842 dihydrochloride,
SG-1842,
N-(2-Aminoethyl)nicotinamide dihydrochloride,
72627-93-1,
n-(2-amino-ethyl)-nicotinamide dihydrochloride,
3-pyridinecarboxamide, N-(2-aminoethyl)-, dihydrochloride,
SCHEMBL4780686,
CTK7E8842,
PQIXVULTTAHETE-UHFFFAOYSA-N,
CS-B1729,
ZX-CM016991,
MFCD03161175,
AKOS015845953,
CS-15349,
N-(2-aminoethyl)pyridine-3-carboxamide dihydrochloride,
939-53-7,
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| Complexity | 149 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number