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Heterocyclic building blocks

Hydroxysimazine

Also known as Simazine-2-hydroxy, 1,3,5-Triazin-2(1H)-one, 4,6-bis(ethylamino)-, s-Triazin-2-ol, 4,6-bis(ethylamino)-

CAS 2599-11-3Formula C7H13N5OMolar mass 183.22 g/molEC 803-612-3
GHS signal word: Warning. Pictograms: Harmful or irritant
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Hydroxysimazine chemical structure, C7H13N5O, CAS 2599-11-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2599-11-3
Formula
C7H13N5O
Molar mass
183.22 g/mol
EC number
803-612-3
HS code
293369
Category
Heterocyclic building blocks

What is Hydroxysimazine?

Plain description, key identifiers and synonyms

Simazine-2-hydroxy is a diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide simazine. It has a role as a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a heteroaryl hydroxy compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4,6-bis(ethylamino)-1H-1,3,5-triazin-2-one
CAS number
2599-11-3
EC number
803-612-3
Molecular formula
C7H13N5O
UNII
2MHC1OXH2M
InChIKey
YQIXRXMOJFQVBV-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
SMILES (canonical and isomeric)
CCNC1=NC(=NC(=O)N1)NCC

Synonyms

  • Simazine-2-hydroxy
  • 1,3,5-Triazin-2(1H)-one, 4,6-bis(ethylamino)-
  • s-Triazin-2-ol, 4,6-bis(ethylamino)-
  • Systematic names 1,3,5-triazin-2(1H)-one, 4,6-bis(ethylamino)-
  • s-Triazin-2-ol, 4,6-bis(ethylamino)-(8CI)
  • 2-Hydroxysimazine
  • bis(ethylamino)-1,3,5-triazin-2-ol
  • 4,6-Bis(ethylamino)-S-triazin-2-ol
  • 4,6-bis(ethylamino)-1,3,5-triazin-2(1h)-one
  • 4,6-bis(ethylamino)-1,3,5-triazin-2-ol
  • 4,6-Bis(ethylamino)-1H-1,3,5-triazin-2-one
  • Simazine hydroxy
  • imazine TP
  • 2,6-bis(ethylamino)-1H-1,3,5-triazin-4-one
  • Hydroxysimazine, Hydroxy-simetryn
  • s-Triazin-2-ol,6-bis(ethylamino)-
  • 2-hydroxy-4,6-bis(ethlyamino)-S-triazine
  • 2-hydroxy-4,6-bis(ethylamino)-s-triazine
  • Simazine-2-hydroxy 10 |Ig/mL in Methanol
  • Simazine-2-hydroxy 10 microg/mL in Methanol
  • 1,5-Triazin-2(1H)-one, 4,6-bis(ethylamino)-
  • 4,6-Bis(ethylamino)-1,3,5-triazin-2(3H)-one #

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
183.22 g/molcalc.
Exact mass
183.112 Dacalc.
LogP (octanol/water)
0.03calc.
Topological polar surface area
82.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1ncnc[nH]1

O=c1ncnc[nH]1

1 ring, 7 atoms, the 1,3,5-Triazin-2(1H)-one ring system.

109 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Hydroxysimazine suppliers

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Hydroxysimazine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pesticide transformation products, Pesticides.

Roles

  • marine metabolite
  • marine xenobiotic metabolite
  • metabolite
  • xenobiotic metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hydroxysimazine is traded under.

HS 2933.69Indicative HS code

Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…

World exports in 2024
$2.46B
+1.8% vs 2023, imports $2.44B
2019 to 2024
Top exporters
  1. China53.6%
  2. Germany11.5%
  3. India * partner reported8.4%
Top importers
  1. United States13.5%
  2. Brazil9.6%
  3. Germany9.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hydroxysimazine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hydroxysimazine, based on the data on this page

What is Hydroxysimazine?

Simazine-2-hydroxy is a diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide simazine. It has a role as a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a heteroaryl hydroxy compound.

What is the CAS number of Hydroxysimazine?

The CAS registry number of Hydroxysimazine is 2599-11-3.

What is the molecular formula and weight of Hydroxysimazine?

The molecular formula of Hydroxysimazine is C7H13N5O and its molar mass is 183.22 g/mol.

What is Hydroxysimazine used for?

Use classes: Pesticide transformation products, Pesticides.

Is Hydroxysimazine hazardous?

Hydroxysimazine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hydroxysimazine?

Hydroxysimazine is usually classified under HS code 293369 (Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hydroxysimazine?

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What is the price of Hydroxysimazine?

Suppliers quote Hydroxysimazine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Hydroxysimazine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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