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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
Names and Synonyms:
Dicrotophos
Phosphoric acid, (1E)-3-(dimethylamino)-1-methyl-3-oxo-1-propen-1-yl dimethyl ester
Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N,N-dimethylcrotonamide, (E)-
Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester, (E)-
Phosphoric acid, (1E)-3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester
SD 3562
ENT 24,482
Bidrin
3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide
3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate
Dicrotophos
Karbicron
Carbicron
Carbomicron
trans-Bidrin
Dimethyl 2-dimethylcarbamoyl-1-methylvinyl phosphate
Dimethyl 1-dimethylcarbamoyl-1-propen-2-yl phosphate
C 709
Ektafos
Oleobidrin
Bidrin 8
Identifiers:
SMILES:
COP(=O)(OC)O/C(C)=C/C(=O)N(C)C
InChI:
InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
Key Properties
Boiling Point
130 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
1.22 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 | 237.19 g/mol | CAS Common Chemistry |
| 237.19199999999998 g/mol | RDKit | |
| 237.07660924200002 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.216 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dicrotophos | CAS Common Chemistry |
| Boiling Point | 130 °C @ Press: 0.1 Torr | 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 |
| LogP | 1.3959 | RDKit |
| Molar Refractivity | 55.16050000000003 | RDKit |
