CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; Darkens and polymerizes upon exposure to light and air; [Merck Index] |
|---|---|
| Color/Form | COLORLESS LIQUID |
| Odor | MOUSY ODOR |
| Boiling Point | 133 °C |
| Melting Point | SOLIDIFIES AROUND -2 °C |
| Solubility | SOLUBLE IN ALCOHOL, ETHER, ACETONE, BENZENE, AMYL ALCOHOL; SLIGHTLY SOL IN CHLOROFORM; ONE ML DISSOLVES IN 90 ML WATER, LESS SOL IN HOT WATER; THE BASE DISSOLVES ABOUT 25% WATER AT ROOM TEMPERATURE |
| Density | 0.844-0.848 @ 20 °C/4 °C |
| Vapor Pressure | 0.69 [mmHg] |
| pH | ALKALINE |
| Refractive Index | INDEX OF REFRACTION: 1.4505 @ 23 °C/D; SPECIFIC OPTICAL ROTATION: +16 DEG @ 19 °C/D |
| Dissociation Constants | PK 3.1; K 7.5X10-4 |
| Kovats Retention Index | 992 |
| Other Experimental Properties | VOLATILE WITH STEAM |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 127.23 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 127.136099547 g/mol |
| Monoisotopic Mass | 127.136099547 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 71 |
| 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
Coniine is a natural product found in Conium, Sarracenia flava, and other organisms with data available.