858956-08-8
Product Name:
6-AMINO-5-CHLORO-2-CYCLOPROPYLPYRIMIDINE-4-CARBOXYLIC ACID
Formula:
C8H8ClN3O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Granules |
|---|---|
| Solubility | In water at 20 °C: 2810 mg/L (in Milli-Q water), 3130 mg/L (pH 4), 4200 mg/L (pH 7), 3870 mg/L (pH 9) |
| Vapor Pressure | 3.7X10-8 mm Hg at 25 °C |
| LogP | log Kow = -2.48 (pH 7), -1.12 (pH 4) |
| Henry's Law Constant | Henry's Law constant = 3.47X10-12 atm-cu m/mol at 20 °C |
| Dissociation Constants | pKa = 4.65 at 20 °C |
COMPUTED DESCRIPTORS
| Molecular Weight | 213.62 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 213.0305042 g/mol |
| Monoisotopic Mass | 213.0305042 g/mol |
| Topological Polar Surface Area | 89.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 247 |
| 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
Aminocyclopyrachlor is an organochlorine herbicide, the structure of which is that of pyrimidine-4-carboxylic acid substituted at positions 2, 5 and 6 by cyclopropyl, chloro and amino groups respectively. It has a role as a herbicide and a synthetic auxin. It is a member of pyrimidines, a member of cyclopropanes and an organochlorine pesticide. It contains a primary amino group. It is a conjugate acid of an aminocyclopyrachlor(1-).