CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals from methanol |
|---|---|
| Melting Point | 238-240 °C |
| LogP | log Kow = -0.48 |
| Dissociation Constants | pKa1 = 2.08 |
| Other Experimental Properties | When heated to decomposition, it emits toxic fumes of NOx and Cl- |
COMPUTED DESCRIPTORS
| Molecular Weight | 199.63 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 199.0400063 g/mol |
| Monoisotopic Mass | 199.0400063 g/mol |
| Topological Polar Surface Area | 63.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 179 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-amino-3-(4-chlorophenyl)propanoic acid is a phenylalanine derivative.