| CAS Number | 158115-67-4 |
| Catalog Number | AG001Q02(AGN-PC-0031AE) |
| Chemical Name | 2-(4-Methylpiperidino)benzonitrile |
| IUPAC Name | 2-(4-methylpiperidin-1-yl)benzonitrile |
| InChI | InChI=1S/C13H16N2/c1-11-6-8-15(9-7-11)13-5-3-2-4-12(13)10-14/h2-5,11H,6-9H2,1H3 |
| InChI Key | QVVFVZZUIIZJJH-UHFFFAOYSA-N |
| MDL Number | MFCD11037367 |
| Molecular Formula | C13H16N2 |
| Molecular Weight | 200.2795 |
| SMILES | C(#N)C1=CC=CC=C1N1CCC(C)CC1 |
| Synonyms | 158115-67-4,
2-(4-Methylpiperidin-1-yl)benzonitrile,
2-(4-Methylpiperidino)benzonitrile,
ACMC-209dhi,
SCHEMBL13176022,
CTK8B0899,
DTXSID60565625,
ANW-21748,
MFCD11037367,
ZINC20075895,
AKOS000261439,
AJ-75997,
AX8229541,
TC-110493,
Benzonitrile, 2-(4-methyl-1-piperidinyl)-,
ST24021784,
V3560,
I01-11476,
C13H16N2,
B-7350,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.285g/mol |
| Monoisotopic Mass | 200.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number