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.