| CAS Number | 1018552-50-5 |
| Catalog Number | AG01AHWJ |
| Chemical Name | 2-(4-Cyclohexanecarbonylpiperazin-1-yl)ethan-1-amine |
| IUPAC Name | [4-(2-aminoethyl)piperazin-1-yl]-cyclohexylmethanone |
| InChI | InChI=1S/C13H25N3O/c14-6-7-15-8-10-16(11-9-15)13(17)12-4-2-1-3-5-12/h12H,1-11,14H2 |
| InChI Key | QOEZKABHHOSGBS-UHFFFAOYSA-N |
| MDL Number | MFCD10015952 |
| Molecular Formula | C13H25N3O |
| Molecular Weight | 239.3571 |
| SMILES | NCCN1CCN(C(C2CCCCC2)=O)CC1 |
| Synonyms | 2-(4-cyclohexanecarbonylpiperazin-1-yl)ethan-1-amine,
1018552-50-5,
SCHEMBL12120531,
ZINC20181596,
AKOS006038046,
MCULE-8002146225,
NE38837,
EN300-76007,
2-(4-cyclohexanecarbonylpiperazin-1-yl)ethanamine,
{2-[4-(cyclohexylcarbonyl)piperazin-1-yl]ethyl}amine,
F2158-1200,
Z1188231248,
[4-(2-aminoethyl)piperazin-1-yl]-cyclohexylmethanone,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.363g/mol |
| Monoisotopic Mass | 239.2g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number