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Propoxur
CAS: 114-26-1 | C11H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
114-26-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.24499999999998 g/mol
Names and Synonyms:
Propoxur
Synonym
Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)
Synonym
Carbamic acid, methyl-, o-isopropoxyphenyl ester
Synonym
Phenol, 2-(1-methylethoxy)-, methylcarbamate
Synonym
Phenol, o-isopropoxy-, methylcarbamate
Synonym
ENT 25,671
Synonym
Bayer 39007
Synonym
58 12 315
Synonym
Arprocarb
Synonym
Brygou
Synonym
IPMC
Synonym
o-Isopropoxyphenyl N-methylcarbamate
Synonym
o-Isopropoxyphenyl methylcarbamate
Synonym
2-Isopropoxyphenyl N-methylcarbamate
Synonym
2-Isopropoxyphenyl methylcarbamate
Synonym
BAY 39007
Synonym
Baygon
Synonym
OMS 33
Synonym
Unden (pesticide)
Synonym
Propoxur
Synonym
PHC (carbamate)
Synonym
BAY 5122
Synonym
Bayer B 5122
Synonym
Unden
Synonym
Propotox
Synonym
Blattanex
Synonym
Invisi-Gard
Synonym
Blattosep
Synonym
Suncide
Synonym
Dalf Dust
Synonym
O-(2-Isopropoxyphenyl) N-methylcarbamate
Synonym
Sendran
Synonym
Bolfo
Synonym
Propoxylor
Synonym
2-(1-Methylethoxy)phenyl N-methylcarbamate
Synonym
Boruho
Synonym
Mrowkozol
Synonym
Boruho 50
Synonym
Tendex
Synonym
PHC 7
Synonym
PHC
Synonym
Unden 50PM
Synonym
NSC 379584
Synonym
Baygon G
Synonym
Identifiers:
SMILES:
CN=C(O)Oc1ccccc1OC(C)C
InChI:
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 209.24 g/mol | Legacy Database |
| density | 1.12 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Propoxur None | Legacy Database |
| cas-canonical-smile | O=C(OC=1C=CC=CC1OC(C)C)NC None | Legacy Database |
| cas-density | 1.12 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) None | Legacy Database |
| cas-inchi-key | InChIKey=ISRUGXGCCGIOQO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 91.5 °C None | Legacy Database |
| cas-name | Propoxur None | Legacy Database |
| wikipedia-name | Propoxur None | Legacy Database |
| LogP | 2.3964000000000008 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 209.24499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 209.10519334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 15 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 51.05000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 58.82180000000004 | RDKit |