| CAS Number | 21051-07-0 |
| Catalog Number | AG0179B6(AGN-PC-0WBQ27) |
| Chemical Name | 3-amino-N-(pyridin-3-yl)propanamide dihydrochloride |
| IUPAC Name | 3-amino-N-pyridin-3-ylpropanamide;dihydrochloride |
| InChI | InChI=1S/C8H11N3O.2ClH/c9-4-3-8(12)11-7-2-1-5-10-6-7;;/h1-2,5-6H,3-4,9H2,(H,11,12);2*1H |
| InChI Key | XVJLSSKZHKUJQH-UHFFFAOYSA-N |
| MDL Number | MFCD16294064 |
| Molecular Formula | C8H13Cl2N3O |
| Molecular Weight | 238.1143 |
| SMILES | Cl.Cl.NCCC(=O)NC=1C=NC=CC1 |
| Synonyms | 3-amino-N-(pyridin-3-yl)propanamide dihydrochloride,
21051-07-0,
AC1Q3AUK,
MFCD09742698,
AKOS026676809,
MCULE-1186249240,
NE41334,
N-Pyridin-3-yl-beta-alaninamide (2HCl),
EN300-62273,
F2185-0069,
Z1101435045,
|
| 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
Certificate of Analysis
Lot Number