2-Hydroxy-atrazine

CAT: 0804-HY-W704138-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-W704138-02Size:100 mg

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Description

2-Hydroxy-atrazine is a non-herbicidal primary photoproduct that results from the hydrolytic dechlorination of atrazine.

CAS Number

2163-68-0

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

Drug Derivative; Endogenous Metabolite

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease; Others

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/2-hydroxy-atrazine.html

Smiles

O=C1N=C(NCC)NC(NC(C)C)=N1

Molecular Formula

C8H15N5O

Molecular Weight

197.24

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Lipidomics reveals a remarkable diversity of lipids in human plasma|[2]The phospholipase iPLA2gamma is a major mediator releasing oxidized aliphatic chains from cardiolipin, integrating mitochondrial bioenergetics and signaling|[3]Characterization of cardiolipin as the sodiated ions by positive-ion electrospray ionization with multiple stage quadrupole ion-trap mass spectrometryHsu FF and Turk JJournal of the American Society For Mass Spectrometry2006

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

2-Hydroxyatrazine

4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol is a monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a monohydroxy-1,3,5-triazine. It is functionally related to an atrazine.

CAS Number	2163-68-0
PubChem CID	135398733
IUPAC Name	4-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
Molecular Formula	C8H15N5O
Molecular Weight	197.24
XLogP	0.1
Topological Polar Surface Area	77.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	281

SMILES

CCNC1=NC(=O)NC(=N1)NC(C)C

InChI

InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)

InChIKey

NFMIMWNQWAWNDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2163-68-0

CID: 135398733

Formula: C8H15N5O

MW: 197.24

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	197.24
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	197.12766012
Monoisotopic Mass	197.12766012
Topological Polar Surface Area	77.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	281
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

Related Products

Catalog	Name
HY-132394S-01	Hydroxy Atrazine-d5
HY-N7091-01	Atrazine
HY-126816-01	Atrazine mercapturate
HY-N7091R-01	Atrazine (Standard)
HY-N7091S-01	Atrazine-15N
HY-N7091S2-01	Atrazine-d5
HY-163023	Atrazine-acetic acid
HY-N7091S1	Atrazine-13C3,15N3
HY-163024	Atrazine-3-mercaptopropanoic acid
HY-CE01213	Atrazine-glutathione-conjugate-CoA

Alternative Products

Catalog	Name
sc-239260	Atrazine-2-hydroxy
TRC-H828600-100MG	Hydroxy Atrazine
sc-239261	Atrazine-desethyl-2-hydroxy
sc-491275	Hydroxy Atrazine-d5
30360-19-1	Atrazine-2-ethylamino
30632000-2	Atrazine

2-Hydroxy-atrazine

Chemical Information

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