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Molecule
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 Mass
- 209.24 g/mol
Identifiers
CAS Registry Number
114-26-1
SMILES
CN=C(O)Oc1ccccc1OC(C)C
InChI Key
ISRUGXGCCGIOQO-UHFFFAOYSA-N
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)
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.24 g/mol | CAS Common Chemistry |
| 209.24499999999998 g/mol | RDKit | |
| 209.245 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.12 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propoxur | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C=CC=CC1OC(C)C)NC | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=ISRUGXGCCGIOQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 91.5 °C | CAS Common Chemistry |
| Name | Propoxur | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 51.05000000000001 Ų | RDKit |
| 51.05 Ų | RDKit | |
| LogP | 2.3964000000000008 | RDKit |
| 2.3964 | RDKit | |
| Molar Refractivity | 58.82180000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 209.10519334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 209.24 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H15NO3.
