6190-65-4
Product Name:
ATRAZINE-DESETHYL
Formula:
C6H10ClN5
Synonyms:
2-Amino-4-chloro-6-isopropylamino-1,3,5-triazine;Desethylatrazine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless solid; [MSDSonline] |
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Color/Form | Crystals |
Melting Point | 136 °C |
Solubility | In distilled water, 3200 mg/L at 22 °C |
Vapor Pressure | 0.0000933 [mmHg] |
LogP | log Kow = 1.51 |
Collision Cross Section | 139.64 Ų [M+H]+ |
Kovats Retention Index | 1636.6 1632.1 |
Chemical Classes | Pesticides -> Herbicides, Triazine |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 187.63 g/mol |
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XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 187.0624730 g/mol |
Monoisotopic Mass | 187.0624730 g/mol |
Topological Polar Surface Area | 76.7 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 142 |
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
Deethylatrazine is a chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group. It has a role as a marine xenobiotic metabolite. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine. It is functionally related to a 6-chloro-1,3,5-triazine-2,4-diamine.