| CAS Number | 7684-29-9 |
| Catalog Number | AG008OP2(AGN-PC-0A8HIG) |
| Chemical Name | 5-Benzylmorpholin-3-one |
| IUPAC Name | 5-benzylmorpholin-3-one |
| InChI | InChI=1S/C11H13NO2/c13-11-8-14-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13) |
| InChI Key | PXPFDUZBGQDAEP-UHFFFAOYSA-N |
| MDL Number | MFCD22493497 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | O=C1NC(CC2=CC=CC=C2)COC1 |
| Synonyms | 5-Benzylmorpholin-3-one,
7684-29-9,
(S)-5-Benzylmorpholin-3-one,
101250-48-0,
ACMC-20m4ai,
5-benzyl-3-morpholinone,
SCHEMBL8551693,
CTK8B7699,
PXPFDUZBGQDAEP-UHFFFAOYSA-N,
1980AC,
ANW-58239,
AKOS016003064,
(+/-)-5-(Phenylmethyl)-3-morpholinone,
AS-58000,
TC-146984,
Z2327226200,
C11H13NO2,
3-Morpholinone, 5-(phenylmethyl)-, (5S)-,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.094629g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.094629g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number