| CAS Number | 1178640-57-7 |
| Catalog Number | AG01EHWD |
| Chemical Name | (2,2-dimethoxyethyl)[(4-ethoxyphenyl)methyl]amine |
| IUPAC Name | N-[(4-ethoxyphenyl)methyl]-2,2-dimethoxyethanamine |
| InChI | InChI=1S/C13H21NO3/c1-4-17-12-7-5-11(6-8-12)9-14-10-13(15-2)16-3/h5-8,13-14H,4,9-10H2,1-3H3 |
| InChI Key | ZBANIMRVIZIGRZ-UHFFFAOYSA-N |
| MDL Number | MFCD12515589 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | CCOC1=CC=C(CNCC(OC)OC)C=C1 |
| Synonyms | AKOS005908577,
(2,2-DIMETHOXYETHYL)[(4-ETHOXYPHENYL)METHYL]AMINE,
1178640-57-7,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 39.7A^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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