| CAS Number | 1042363-71-2 |
| Catalog Number | AG00HAB9 |
| Chemical Name | Benzyl 4-benzylmorpholine-3-carboxylate |
| IUPAC Name | benzyl 4-benzylmorpholine-3-carboxylate |
| InChI | InChI=1S/C19H21NO3/c21-19(23-14-17-9-5-2-6-10-17)18-15-22-12-11-20(18)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2 |
| InChI Key | PFVNMNCFVVSLRA-UHFFFAOYSA-N |
| MDL Number | MFCD04038514 |
| Molecular Formula | C19H21NO3 |
| Molecular Weight | 311.3749 |
| SMILES | O=C(C1COCCN1Cc1ccccc1)OCc1ccccc1 |
| Synonyms | Benzyl 4-benzylmorpholine-3-carboxylate,
1042363-71-2,
4-Benzyl-3-morpholinecarboxylic acid benzyl ester,
AC1NMWKA,
CTK7G0393,
DTXSID90407882,
MFCD04038514,
B50310,
CID5058358,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.381g/mol |
| Monoisotopic Mass | 311.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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