| CAS Number | 373598-24-4 |
| Catalog Number | AG01A95V(AGN-PC-0WO9CA) |
| Chemical Name | 3-amino-N-[(pyridin-4-yl)methyl]propanamide |
| IUPAC Name | 3-amino-N-(pyridin-4-ylmethyl)propanamide |
| InChI | InChI=1S/C9H13N3O/c10-4-1-9(13)12-7-8-2-5-11-6-3-8/h2-3,5-6H,1,4,7,10H2,(H,12,13) |
| InChI Key | CJTMKMUEUPHZFZ-UHFFFAOYSA-N |
| MDL Number | MFCD09726149 |
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.2190 |
| SMILES | NCCC(NCC1=CC=NC=C1)=O |
| Synonyms | 3-amino-N-(pyridin-4-ylmethyl)propanamide,
373598-24-4,
AC1Q5498,
ZINC11755140,
AKOS009234906,
MCULE-9237025010,
NE58483,
N-(4-Pyridylmethyl)-3-aminopropionamide,
AJ-60055,
BB 0262555,
3-amino-N-[(pyridin-4-yl)methyl]propanamide,
EN300-64257,
Z927401168,
propanamide, 3-amino-n-(4-pyridinylmethyl)-,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.223g/mol |
| Monoisotopic Mass | 179.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number