| CAS Number | 1296224-75-3 |
| Catalog Number | AG01AKRO |
| Chemical Name | 2-[4-(aminomethyl)piperidin-1-yl]benzonitrile hydrochloride |
| IUPAC Name | 2-[4-(aminomethyl)piperidin-1-yl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C13H17N3.ClH/c14-9-11-5-7-16(8-6-11)13-4-2-1-3-12(13)10-15;/h1-4,11H,5-9,14H2;1H |
| InChI Key | PIDMIFHQJMITKT-UHFFFAOYSA-N |
| MDL Number | MFCD16619456 |
| Molecular Formula | C13H18ClN3 |
| Molecular Weight | 251.7551 |
| SMILES | Cl.NCC1CCN(C2=C(C#N)C=CC=C2)CC1 |
| Synonyms | 2-[4-(aminomethyl)piperidin-1-yl]benzonitrile hydrochloride,
1296224-75-3,
MCULE-4546455755,
NE53520,
EN300-85025,
Z1295580426,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.758g/mol |
| Monoisotopic Mass | 251.119g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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