| CAS Number | 1017028-13-5 |
| Catalog Number | AG0094BQ(AGN-PC-0WA556) |
| Chemical Name | 2-(4-Ethylpiperazino)isonicotinonitrile |
| IUPAC Name | 2-(4-ethylpiperazin-1-yl)pyridine-4-carbonitrile |
| InChI | InChI=1S/C12H16N4/c1-2-15-5-7-16(8-6-15)12-9-11(10-13)3-4-14-12/h3-4,9H,2,5-8H2,1H3 |
| InChI Key | NFIPWUNGOSCXHY-UHFFFAOYSA-N |
| MDL Number | MFCD09947517 |
| Molecular Formula | C12H16N4 |
| Molecular Weight | 216.2822 |
| SMILES | CCN1CCN(C2=NC=CC(C#N)=C2)CC1 |
| Synonyms | 2-(4-Ethylpiperazino)isonicotinonitrile,
1017028-13-5,
2-(4-ethylpiperazin-1-yl)isonicotinonitrile,
EN300-37506,
AC1Q316O,
CTK6F0241,
ZINC19511879,
AKOS000192836,
MCULE-7784837476,
BC2416688,
Z6387,
2-(4-ethylpiperazin-1-yl)pyridine-4-carbonitrile,
Z319009386,
C12H16N4,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.288g/mol |
| Monoisotopic Mass | 216.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number