CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride is a cream-colored powder. (NTP, 1992) |
|---|---|
| Color/Form | Cream colored powder |
| Odor | Pungent odor |
| Boiling Point | Decomposes above 60 °C |
| Melting Point | 178-210 °C |
| Solubility | greater than 100 mg/mL at 72 °F (NTP, 1992) |
| Density | 0.4 g/cu cm (bulk density) |
| Vapor Pressure | <1.0X10-7 mm Hg at 25 °C |
| LogP | log Kow = -0.1 |
| Stability/Shelf Life | Stable under ambient conditions. |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chlorides and nitrogen oxides/. |
| pH | pH = 5.57 at 24 °C |
| Dissociation Constants | Completely ionized in aqueous solutions (97.8%) |
| Chemical Classes | Nitrogen Compounds -> Quaternary Amines |
COMPUTED DESCRIPTORS
| Molecular Weight | 251.15 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 250.0752019 g/mol |
| Monoisotopic Mass | 250.0752019 g/mol |
| Topological Polar Surface Area | 9.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 224 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride is a cream-colored powder. (NTP, 1992)