| CAS Number | 53277-43-3 |
| Catalog Number | AG019TOH(AGN-PC-0NABMQ) |
| Chemical Name | 1-(4-Aminopyridin-3-yl)ethan-1-one |
| IUPAC Name | 1-(4-aminopyridin-3-yl)ethanone |
| InChI | InChI=1S/C7H8N2O/c1-5(10)6-4-9-3-2-7(6)8/h2-4H,1H3,(H2,8,9) |
| InChI Key | UCZQHSHTLWCFEW-UHFFFAOYSA-N |
| MDL Number | MFCD19649486 |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.1512 |
| SMILES | CC(=O)c1cnccc1N |
| Synonyms | 1-(4-aminopyridin-3-yl)ethanone,
53277-43-3,
1-(4-aminopyridin-3-yl)ethan-1-one,
1-(4-amino-pyridin-3-yl)-ethanone,
1-(4-amino-3-pyridinyl)ethanone,
SCHEMBL9469391,
UCZQHSHTLWCFEW-UHFFFAOYSA-N,
ZINC34448190,
AKOS013404952,
MCULE-5759723657,
NE16519,
Z1686518536,
CID10773027,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.154g/mol |
| Monoisotopic Mass | 136.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number