| CAS Number | 791563-61-6 |
| Catalog Number | AG00GIR3(AGN-PC-0UE6V0) |
| Chemical Name | 1-(4-(2-Aminoethyl)piperidin-1-yl)ethanone |
| IUPAC Name | 1-[4-(2-aminoethyl)piperidin-1-yl]ethanone |
| InChI | InChI=1S/C9H18N2O/c1-8(12)11-6-3-9(2-5-10)4-7-11/h9H,2-7,10H2,1H3 |
| InChI Key | KCVCXSGVHBGIHR-UHFFFAOYSA-N |
| MDL Number | MFCD18820702 |
| Molecular Formula | C9H18N2O |
| Molecular Weight | 170.2520 |
| SMILES | CC(N1CCC(CCN)CC1)=O |
| Synonyms | 791563-61-6,
1-[4-(2-aminoethyl)piperidin-1-yl]ethan-1-one,
SCHEMBL6043115,
ZINC39072610,
AKOS013341824,
MCULE-8111347255,
NE48430,
1-(4-(2-Aminoethyl)piperidin-1-yl)ethanone,
4-piperidineethanamine,1-acetyl-,
4-Piperidineethanamine, 1-acetyl- (9CI),
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.256g/mol |
| Monoisotopic Mass | 170.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number