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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
Names and Synonyms:
Atrazine
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-
Atrazine
s-Triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)-
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N′-(1-methylethyl)-
6-Chloro-N2-ethyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine
A 361
G 30027
Aktinit A
2-Chloro-4-ethylamineisopropylamine-s-triazine
2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine
1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine
Hungazin PK
Triazine A 1294
Gesaprim
Zeazin
2-Ethylamino-4-isopropylamino-6-chloro-s-triazine
Hungazin
2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine
Argezin
Aktikon
Aktikon PK
Atrazin
2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine
Aktinit PK
Cyazin
Wonuk
Primatol A
2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine
Oleogesaprim
Zeazine
Chromozin
Radazin
Gesaprim 50
Akticon
Atrataf
Zeapos
CET
Oleogesaprim 200
Gesaprim 500
Herbatoxol
ATZ
Zeopos
6-Chloro-4-(ethylamino)-2-(isopropylamino)-s-triazine
Gesaprim L
Azoprim
Azoprim 50
AAtrex Nine-O
AAtrex 4L
AAtrex
Gesamprim
Zealin L
Atranex
Atranex 80WP
Nu-Trazine
Aatrex 4LC
Radazin T
NSC 163046
Primoleo
Atraphyt
Atragranz
Farmozine
6-Chloro-N-Ethyl-N′-(1-methylethyl)-1,3,5-triazine-2,4-diamine
Atrasan
Aatrex L
Nortox 500SC
2-Ethylamino-4-isopropylamino-6-chloro-1,3,5-triazine
Atrazerba FL
Atradex
Aatrax
Atanor 50 SC
2-Chloro-6-ethylamino-4-isopropylamino-1,3,5-triazine
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)
Key Properties
Melting Point
175-177 °C
CAS Common Chemistry
Density
1.23 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.69 g/mol | CAS Common Chemistry |
| 215.68800000000002 g/mol | RDKit | |
| 215.09377312799998 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.23 g/cm3 @ Temp: 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 Ų | RDKit |
| LogP | 0.6209000000000001 | RDKit |
| Molar Refractivity | 54.75140000000002 | RDKit |
