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Molecule
Dicrotophos
CAS: 141-66-2 · C8H16NO5P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 141-66-2
- Molecular Formula
- C8H16NO5P
- Molecular Mass
- 237.19 g/mol
Identifiers
CAS Registry Number
141-66-2
SMILES
COP(=O)(OC)O/C(C)=C/C(=O)N(C)C
InChI Key
VEENJGZXVHKXNB-VOTSOKGWSA-N
InChI
InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
Names and Synonyms
- Dicrotophos Common Name
- Phosphoric acid, (1E)-3-(dimethylamino)-1-methyl-3-oxo-1-propen-1-yl dimethyl ester Synonym
- Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N,N-dimethylcrotonamide, (E)- Synonym
- Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester, (E)- Synonym
- Phosphoric acid, (1E)-3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester Synonym
- SD 3562 Synonym
- ENT 24,482 Synonym
- Bidrin Synonym
- 3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide Synonym
- 3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate Synonym
- Dicrotophos Synonym
- Karbicron Synonym
- Carbicron Synonym
- Carbomicron Synonym
- trans-Bidrin Synonym
- Dimethyl 2-dimethylcarbamoyl-1-methylvinyl phosphate Synonym
- Dimethyl 1-dimethylcarbamoyl-1-propen-2-yl phosphate Synonym
- C 709 Synonym
- Ektafos Synonym
- Oleobidrin Synonym
- Bidrin 8 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.19 g/mol | CAS Common Chemistry |
| 237.19199999999998 g/mol | RDKit | |
| 237.192 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.216 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dicrotophos | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C(OP(=O)(OC)OC)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=VEENJGZXVHKXNB-VOTSOKGWSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Dicrotophos | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.07000000000001 Ų | RDKit |
| 65.07 Ų | RDKit | |
| LogP | 1.3959 | RDKit |
| 1.32 | chempirical lib | |
| Molar Refractivity | 55.16050000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 237.07660924200002 g/mol | RDKit |
| Boiling Point | 130 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 237.19 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
