Atrazine

CAS: 1912-24-9 · C8H14ClN5

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 1912-24-9
Molecular Formula: C8H14ClN5
Molecular Mass: 215.69 g/mol

Identifiers

CAS Registry Number

1912-24-9

SMILES

CCN=c1nc(Cl)[nH]c(=NC(C)C)[nH]1

InChI Key

MXWJVTOOROXGIU-UHFFFAOYSA-N

InChI

InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

Names and Synonyms

Atrazine Common Name
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)- Synonym
Atrazine Synonym
s-Triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)- Synonym
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N′-(1-methylethyl)- Synonym
6-Chloro-N2-ethyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine Synonym
A 361 Synonym
G 30027 Synonym
Aktinit A Synonym
2-Chloro-4-ethylamineisopropylamine-s-triazine Synonym
2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine Synonym
1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine Synonym
Hungazin PK Synonym
Triazine A 1294 Synonym
Gesaprim Synonym
Zeazin Synonym
2-Ethylamino-4-isopropylamino-6-chloro-s-triazine Synonym
Hungazin Synonym
2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine Synonym
Argezin Synonym
Aktikon Synonym
Aktikon PK Synonym
Atrazin Synonym
2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine Synonym
Aktinit PK Synonym
Cyazin Synonym
Wonuk Synonym
Primatol A Synonym
2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine Synonym
Oleogesaprim Synonym
Zeazine Synonym
Chromozin Synonym
Radazin Synonym
Gesaprim 50 Synonym
Akticon Synonym
Atrataf Synonym
Zeapos Synonym
CET Synonym
Oleogesaprim 200 Synonym
Gesaprim 500 Synonym
Herbatoxol Synonym
ATZ Synonym
Zeopos Synonym
6-Chloro-4-(ethylamino)-2-(isopropylamino)-s-triazine Synonym
Gesaprim L Synonym
Azoprim Synonym
Azoprim 50 Synonym
AAtrex Nine-O Synonym
AAtrex 4L Synonym
AAtrex Synonym
Gesamprim Synonym
Zealin L Synonym
Atranex Synonym
Atranex 80WP Synonym
Nu-Trazine Synonym
Aatrex 4LC Synonym
Radazin T Synonym
NSC 163046 Synonym
Primoleo Synonym
Atraphyt Synonym
Atragranz Synonym
Farmozine Synonym
6-Chloro-N-Ethyl-N′-(1-methylethyl)-1,3,5-triazine-2,4-diamine Synonym
Atrasan Synonym
Aatrex L Synonym
Nortox 500SC Synonym
2-Ethylamino-4-isopropylamino-6-chloro-1,3,5-triazine Synonym
Atrazerba FL Synonym
Atradex Synonym
Aatrax Synonym
Atanor 50 SC Synonym
2-Chloro-6-ethylamino-4-isopropylamino-1,3,5-triazine Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	215.69 g/mol	CAS Common Chemistry
	215.68800000000002 g/mol	RDKit
	215.688 g/mol	RDKit
	215.685 g/mol	chempirical lib
Density	1.23 g/cm³	CAS Common Chemistry
	1.23 g/cm3 @ 22 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Atrazine	CAS Common Chemistry
Canonical SMILES	ClC=1N=C(N=C(N1)NC(C)C)NCC	CAS Common Chemistry
InChI	InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)	CAS Common Chemistry
InChI Key	InChIKey=MXWJVTOOROXGIU-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	175-177 °C	CAS Common Chemistry
Name	Atrazine	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	69.19 Å²	RDKit
LogP	0.6209000000000001	RDKit
	0.6209	RDKit
Molar Refractivity	54.75140000000002 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.625	RDKit
	0.62	chempirical lib
Exact Mass	215.09377312799998 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 215.69 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)