Triazinetriethanol

CAT: 0931-T20782-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T20782-03Size:100 mg

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CAS Number

4719-04-4

Target

Others

Related Pathways

Others

Bioactivity

Triazinetriethanol is a bactericidal agent used in coolant liquids.

Smiles

OCCN1CN(CN(C1)CCO)CCO

Molecular Formula

C9H21N3O3

Molecular Weight

219.28

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine

Hexahydro-1,3,5-tris(hydroxyethyl)-5-triazine is a viscous yellow liquid. (NTP, 1992)

CAS Number	4719-04-4
PubChem CID	104556
IUPAC Name	2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol
Molecular Formula	C9H21N3O3
Molecular Weight	219.28
XLogP	-1.6
Topological Polar Surface Area	70.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	130

SMILES

C1N(CN(CN1CCO)CCO)CCO

InChI

InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2

InChIKey

HUHGPYXAVBJSJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4719-04-4

CID: 104556

Formula: C9H21N3O3

MW: 219.28

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	219.28
XLogP3	-1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	219.15829154
Monoisotopic Mass	219.15829154
Topological Polar Surface Area	70.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	130
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

Alternative Products

Catalog	Name
MBS5772688	Triazinetriethanol
HY-W018156R	Triazinetriethanol (Standard)

Triazinetriethanol

Chemical Information

Alternative Products

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