| CAS Number | 953731-69-6 |
| Catalog Number | AG019VL9 |
| Chemical Name | 2-[2-(1-aminopropyl)phenoxy]-1-(pyrrolidin-1-yl)ethan-1-one |
| IUPAC Name | 2-[2-(1-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone |
| InChI | InChI=1S/C15H22N2O2/c1-2-13(16)12-7-3-4-8-14(12)19-11-15(18)17-9-5-6-10-17/h3-4,7-8,13H,2,5-6,9-11,16H2,1H3 |
| InChI Key | XSHNCPFJHROPFL-UHFFFAOYSA-N |
| MDL Number | MFCD09729346 |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.3474 |
| SMILES | CCC(C1=C(OCC(N2CCCC2)=O)C=CC=C1)N |
| Synonyms | 2-[2-(1-aminopropyl)phenoxy]-1-(pyrrolidin-1-yl)ethan-1-one,
953731-69-6,
AC1Q2SIP,
CHEMBL3489431,
CTK6C8489,
AKOS000138062,
MCULE-4112501432,
NE40581,
EN300-45571,
Z1222278727,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.353g/mol |
| Monoisotopic Mass | 262.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number