77-50-9
Product Name:
Benzeneethanol, .alpha.-2-(dimethylamino)-1-methylethyl-.alpha.-phenyl-, propanoate (ester)
Formula:
C22H29NO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2186.5 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 339.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 339.219829168 g/mol |
| Monoisotopic Mass | 339.219829168 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 397 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate is a propanoate ester that is propyl propanoate substituted by a benzyl and phenyl group at position 1, a methyl group at position 2 and a dimethylamino group at position 3. It is a propanoate ester and a tertiary amine.