| CAS Number | 1049723-07-0 |
| Catalog Number | AG019OKK |
| Chemical Name | 1-(Piperidine-4-carbonyl)azepane hydrochloride |
| IUPAC Name | azepan-1-yl(piperidin-4-yl)methanone;hydrochloride |
| InChI | InChI=1S/C12H22N2O.ClH/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14;/h11,13H,1-10H2;1H |
| InChI Key | NQSVSTDUXRGTLX-UHFFFAOYSA-N |
| MDL Number | MFCD08445290 |
| Molecular Formula | C12H23ClN2O |
| Molecular Weight | 246.7768 |
| SMILES | Cl.O=C(N1CCCCCC1)C1CCNCC1 |
| Synonyms | 1-(piperidine-4-carbonyl)azepane hydrochloride,
1-(piperidin-4-ylcarbonyl)azepane hydrochloride,
Azepan-1-yl-piperidin-4-yl-methanone hydrochloride,
1049723-07-0,
azepan-1-yl(piperidin-4-yl)methanone hydrochloride,
AC1Q3DWI,
CTK7G3236,
1-(Piperidin-4-ylcarbonyl)azepan,
AKOS015849824,
NE53447,
TR-044714,
EN300-14287,
1-[(piperidin-4-yl)carbonyl]azepane hydrochloride,
86542-89-4,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.779g/mol |
| Monoisotopic Mass | 246.15g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number