| CAS Number | 1016780-05-4 |
| Catalog Number | AG01A7IS |
| Chemical Name | N'-hydroxy-2-[(piperidin-1-yl)methyl]benzene-1-carboximidamide |
| IUPAC Name | N'-hydroxy-2-(piperidin-1-ylmethyl)benzenecarboximidamide |
| InChI | InChI=1S/C13H19N3O/c14-13(15-17)12-7-3-2-6-11(12)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2,(H2,14,15) |
| InChI Key | AAZWKAPUIFMKEH-UHFFFAOYSA-N |
| MDL Number | MFCD16572287 |
| Molecular Formula | C13H19N3O |
| Molecular Weight | 233.3095 |
| SMILES | NC(C1=C(CN2CCCCC2)C=CC=C1)=NO |
| Synonyms | 1016780-05-4,
N'-hydroxy-2-(piperidin-1-ylmethyl)benzene-1-carboximidamide,
2-Piperidinomethylbenzamide oxime,
CTK8A6073,
Z910843128,
N'-hydroxy-2-[(piperidin-1-yl)methyl]benzene-1-carboximidamide,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.315g/mol |
| Monoisotopic Mass | 233.153g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number