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Atrazine
CAS: 1912-24-9 | C8H14ClN5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1912-24-9
Molecular Formula:
C8H14ClN5
Molecular Weight:
215.68800000000002 g/mol
Names and Synonyms:
Atrazine
Farmozine
Atragranz
Atraphyt
Primoleo
NSC 163046
Radazin T
Aatrex 4LC
Nu-Trazine
Atranex 80WP
Atranex
Zealin L
Gesamprim
AAtrex
AAtrex 4L
AAtrex Nine-O
Azoprim 50
Azoprim
Gesaprim L
6-Chloro-4-(ethylamino)-2-(isopropylamino)-s-triazine
Zeopos
ATZ
Herbatoxol
Gesaprim 500
Oleogesaprim 200
CET
Zeapos
Atrataf
Akticon
Gesaprim 50
Radazin
Chromozin
Zeazine
Oleogesaprim
2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine
Primatol A
Wonuk
Cyazin
Aktinit PK
2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine
Atrazin
Aktikon PK
Aktikon
Argezin
2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine
Hungazin
2-Ethylamino-4-isopropylamino-6-chloro-s-triazine
Zeazin
Gesaprim
Triazine A 1294
Hungazin PK
1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine
2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine
2-Chloro-4-ethylamineisopropylamine-s-triazine
Aktinit A
G 30027
A 361
6-Chloro-N2-ethyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N′-(1-methylethyl)-
s-Triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)-
Atrazine
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-
2-Chloro-6-ethylamino-4-isopropylamino-1,3,5-triazine
Atanor 50 SC
Aatrax
Atradex
Atrazerba FL
2-Ethylamino-4-isopropylamino-6-chloro-1,3,5-triazine
Nortox 500SC
Aatrex L
Atrasan
6-Chloro-N-Ethyl-N′-(1-methylethyl)-1,3,5-triazine-2,4-diamine
Identifiers:
SMILES:
CCN=c1nc(Cl)[nH]c(=NC(C)C)[nH]1
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 215.68800000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 215.09377312799998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 69.19 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6209000000000001 | RDKit |
| molecular_mass | 215.69 g/mol | Legacy Database |
| density | 1.23 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Atrazine None | Legacy Database |
| cas-canonical-smile | ClC=1N=C(N=C(N1)NC(C)C)NCC None | Legacy Database |
| cas-density | 1.23 g/cm3 @ Temp: 22 °C None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=MXWJVTOOROXGIU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 175-177 °C None | Legacy Database |
| cas-name | Atrazine None | Legacy Database |
| wikipedia-name | Atrazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 54.75140000000002 | RDKit |
