CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >46 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 179 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2436 2436 2422 2450 2445 2471 2457 2457 |
COMPUTED DESCRIPTORS
| Molecular Weight | 306.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 306.230728204 g/mol |
| Monoisotopic Mass | 306.230728204 g/mol |
| Topological Polar Surface Area | 55.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 281 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-aminobenzoic acid 3-(dibutylamino)propyl ester is a benzoate ester.