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Propazine
CAS: 139-40-2 | C9H16ClN5
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
139-40-2
Molecular Formula:
C9H16ClN5
Molecular Mass:
229.72 g/mol
Names and Synonyms:
Propazine
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-
s-Triazine, 2-chloro-4,6-bis(isopropylamino)-
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N′-bis(1-methylethyl)-
6-Chloro-N2,N4-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine
G 30028
Geigy 30,028
2,4-Bis(isopropylamino)-6-chloro-s-triazine
2-Chloro-4,6-bis(isopropylamino)-s-triazine
2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine
Plantulin
Propazin
Propazine
Propazine (herbicide)
Propasin
Gesamil
2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine
Milogard
s-Bis(isopropylamino)chlorotriazine
Primatol P
Prozinex
NSC 26002
2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine
2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine
Identifiers:
SMILES:
CC(C)N=c1nc(Cl)[nH]c(=NC(C)C)[nH]1
InChI:
InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
Key Properties
Melting Point
229.7 °C
CAS Common Chemistry
Density
1.16 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 | 229.72 g/mol | CAS Common Chemistry |
| 229.71500000000003 g/mol | RDKit | |
| 229.10942319199998 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.162 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | ClC=1N=C(N=C(N1)NC(C)C)NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=WJNRPILHGGKWCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 229.7 °C | CAS Common Chemistry |
| Name | Propazine | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 1.0093999999999999 | RDKit |
| Molar Refractivity | 59.34640000000002 | RDKit |
