| CAS Number | 1240529-34-3 |
| Catalog Number | AG01A8M3(AGN-PC-0WOVSK) |
| Chemical Name | 3-Amino-n-(pyridin-4-yl)propanamide dihydrochloride |
| IUPAC Name | 3-amino-N-pyridin-4-ylpropanamide;dihydrochloride |
| InChI | InChI=1S/C8H11N3O.2ClH/c9-4-1-8(12)11-7-2-5-10-6-3-7;;/h2-3,5-6H,1,4,9H2,(H,10,11,12);2*1H |
| InChI Key | CYQQKQWJBLCDRN-UHFFFAOYSA-N |
| MDL Number | MFCD16294065 |
| Molecular Formula | C8H13Cl2N3O |
| Molecular Weight | 238.1143 |
| SMILES | Cl.Cl.NCCC(NC1=CC=NC=C1)=O |
| Synonyms | 3-amino-N-(pyridin-4-yl)propanamide dihydrochloride,
1240529-34-3,
AC1Q3AUJ,
MFCD16294065,
AKOS026744742,
MCULE-2670653309,
NE32458,
N-Pyridin-4-yl-beta-alaninamide (2HCl),
EN300-61974,
107551-92-8,
|
| 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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