| CAS Number | 58039-64-8 |
| Catalog Number | AG00EFBF(AGN-PC-02T863) |
| Chemical Name | 2-(2-Phenylethyl)morpholine |
| IUPAC Name | 2-(2-phenylethyl)morpholine |
| InChI | InChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,12-13H,6-10H2 |
| InChI Key | TXIWKJLQPACJEW-UHFFFAOYSA-N |
| MDL Number | MFCD09055010 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | C1(CCC2CNCCO2)=CC=CC=C1 |
| Synonyms | 2-(2-phenylethyl)morpholine,
58039-64-8,
2-Phenethylmorpholine,
SCHEMBL78044,
2-[2-phenylethyl]-morpholine,
2-(beta-phenylethyl)morpholine,
TXIWKJLQPACJEW-UHFFFAOYSA-N,
AKOS006331153,
MCULE-5258685850,
NE17853,
NS-01805,
FT-0703347,
F2148-1688,
Z1891775475,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number