| CAS Number | 1042770-52-4 |
| Catalog Number | AG019Y6D(AGN-PC-0WO2ZG) |
| Chemical Name | 1-(4-Aminobutyl)piperidin-2-one |
| IUPAC Name | 1-(4-aminobutyl)piperidin-2-one |
| InChI | InChI=1S/C9H18N2O/c10-6-2-4-8-11-7-3-1-5-9(11)12/h1-8,10H2 |
| InChI Key | ZPIZXCIFIRMHBH-UHFFFAOYSA-N |
| MDL Number | MFCD11173699 |
| Molecular Formula | C9H18N2O |
| Molecular Weight | 170.2520 |
| SMILES | NCCCCN1C(=O)CCCC1 |
| Synonyms | 1-(4-aminobutyl)piperidin-2-one,
1042770-52-4,
AC1Q54GJ,
ZINC20295800,
AKOS009244846,
MCULE-5609841049,
NE54874,
EN300-57195,
Z1262237429,
|
| Complexity | 148 |
| 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 | 4 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number