CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals. ... Takes up CO2 from the air and forms crystalline carbonate |
|---|---|
| Boiling Point | 180 °C at 12 mm Hg |
| Melting Point | 35-36 °C |
| Solubility | Moderately soluble in water; soluble in chloroform, benzene. Practically insoluble in ether, petroleum ether. |
| LogP | log Kow = 0.78 |
| Dissociation Constants | pKa = 9.56 |
| Kovats Retention Index | 1664 1663 1663 1657 1695 1674 1688 1700 1685 1690 1688 1695.1 1698.3 1657 1663 1664 1690 1657 1688 1695 1695 1687.4 |
| Other Experimental Properties | Needles, mp 181 °C. Soluble in water, alcohol /Hydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 211.26 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 211.12084340 g/mol |
| Monoisotopic Mass | 211.12084340 g/mol |
| Topological Polar Surface Area | 53.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 163 |
| 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
Mescaline is a phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups. It has a role as a hallucinogen. It is a phenethylamine alkaloid, a member of methoxybenzenes and a primary amino compound.