| CAS Number | 1803604-97-8 |
| Catalog Number | AG01BD1F |
| Chemical Name | methyl 2-[benzyl(2-methoxyethyl)amino]acetate |
| IUPAC Name | methyl 2-[benzyl(2-methoxyethyl)amino]acetate |
| InChI | InChI=1S/C13H19NO3/c1-16-9-8-14(11-13(15)17-2)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3 |
| InChI Key | GJSVPGPXMRINRO-UHFFFAOYSA-N |
| MDL Number | MFCD28012381 |
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.2949 |
| SMILES | COCCN(CC1=CC=CC=C1)CC(OC)=O |
| Synonyms | methyl 2-[benzyl(2-methoxyethyl)amino]acetate,
1803604-97-8,
ZINC96300647,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.299g/mol |
| Monoisotopic Mass | 237.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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