| CAS Number | 544694-70-4 |
| Catalog Number | AG01AI2Q(AGN-PC-01650G) |
| Chemical Name | N-[4-(1-aminoethyl)phenyl]pyridine-4-carboxamide |
| IUPAC Name | N-[4-(1-aminoethyl)phenyl]pyridine-4-carboxamide |
| InChI | InChI=1S/C14H15N3O/c1-10(15)11-2-4-13(5-3-11)17-14(18)12-6-8-16-9-7-12/h2-10H,15H2,1H3,(H,17,18) |
| InChI Key | YLHOUXJZKHQYTC-UHFFFAOYSA-N |
| MDL Number | MFCD09735553 |
| Molecular Formula | C14H15N3O |
| Molecular Weight | 241.2884 |
| SMILES | CC(C1=CC=C(NC(C2=CC=NC=C2)=O)C=C1)N |
| Synonyms | N-[4-(1-aminoethyl)phenyl]pyridine-4-carboxamide,
544694-70-4,
CTK6A5140,
AKOS000143067,
MCULE-5219684886,
NE46331,
EN300-76557,
N-[4-(1-AMINOETHYL)PHENYL]ISONICOTINAMIDE,
Z1267881748,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.121512g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.29g/mol |
| Monoisotopic Mass | 241.121512g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number