| CAS Number | 1353977-72-6 |
| Catalog Number | AG009IBB(AGN-PC-0H0XY2) |
| Chemical Name | 4-(4-Amino-piperidin-1-ylmethyl)-benzonitrile hydrochloride |
| IUPAC Name | 4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C13H17N3.ClH/c14-9-11-1-3-12(4-2-11)10-16-7-5-13(15)6-8-16;/h1-4,13H,5-8,10,15H2;1H |
| InChI Key | IQEQWOGQIATCJR-UHFFFAOYSA-N |
| MDL Number | MFCD21098432 |
| Molecular Formula | C13H18ClN3 |
| Molecular Weight | 251.7551 |
| SMILES | N#CC1=CC=C(CN2CCC(N)CC2)C=C1.[H]Cl |
| Synonyms | 1353977-72-6,
4-((4-Aminopiperidin-1-yl)methyl)benzonitrile hydrochloride,
4-(4-Amino-piperidin-1-ylmethyl)-benzonitrile hydrochloride,
AK159934,
KS-00000SIX,
MFCD21098432,
AKOS024464024,
DS-9695,
AX8293172,
ST24042736,
4-(4-Aminopiperidin-1-ylmethyl)benzonitrile hydrochloride,
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| Complexity | 252 |
| 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 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number