| CAS Number | 15871-91-7 |
| Catalog Number | AG00AVH4(AGN-PC-01GDUR) |
| Chemical Name | 6-(benzylamino)pyridine-3-carbonitrile |
| IUPAC Name | 6-(benzylamino)pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H11N3/c14-8-12-6-7-13(16-10-12)15-9-11-4-2-1-3-5-11/h1-7,10H,9H2,(H,15,16) |
| InChI Key | WWTAXAFLJMUESZ-UHFFFAOYSA-N |
| MDL Number | MFCD09290647 |
| Molecular Formula | C13H11N3 |
| Molecular Weight | 209.2465 |
| SMILES | N#CC1=CN=C(NCC2=CC=CC=C2)C=C1 |
| Synonyms | 6-(Benzylamino)pyridine-3-carbonitrile,
15871-91-7,
6-(BENZYLAMINO)NICOTINONITRILE,
3-pyridinecarbonitrile,6-[(phenylmethyl)amino]-,
6-Benzylamino-nicotinonitrile,
SCHEMBL507660,
WWTAXAFLJMUESZ-UHFFFAOYSA-N,
ZINC19513901,
AKOS000193870,
MCULE-6496027823,
SC-60524,
Z219095874,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.252g/mol |
| Monoisotopic Mass | 209.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number