Back to Search
Molecule
Monocrotophos
CAS: 6923-22-4 · C7H14NO5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6923-22-4
- Molecular Formula
- C7H14NO5P
- Molecular Mass
- 223.16 g/mol
Identifiers
CAS Registry Number
6923-22-4
SMILES
CN=C(O)/C=C(C)OP(=O)(OC)OC
InChI Key
KRTSDMXIXPKRQR-AATRIKPKSA-N
InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
Names and Synonyms
- Monocrotophos Common Name
- Phosphoric acid, dimethyl (1E)-1-methyl-3-(methylamino)-3-oxo-1-propen-1-yl ester Synonym
- Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N-methylcrotonamide, (E)- Synonym
- Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (E)- Synonym
- Phosphoric acid, dimethyl (1E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester Synonym
- C 1414 Synonym
- Azodrin Synonym
- Nuvacron Synonym
- SD 9129 Synonym
- Monocrotophos Synonym
- Monochrotophos Synonym
- 3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate Synonym
- Nuvacron 20 Synonym
- Monocil 40 Synonym
- Corophos Synonym
- Croton 36 Synonym
- Monocil Synonym
- Monicil Synonym
- Monostar Synonym
- Monocron Synonym
- Azodrin 60 Synonym
- Parryfos Synonym
- Apadrin Synonym
- Monocos Synonym
- Nuvacron 36SL Synonym
- Azodrin 202R Synonym
- Kadett 36 Synonym
- Kadett Synonym
- Monokrotofos Synonym
- Sufos Synonym
- Monodhan Synonym
- Devi Synonym
- Phytofos Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.16 g/mol | CAS Common Chemistry |
| 223.16499999999996 g/mol | RDKit | |
| 223.165 g/mol | RDKit | |
| Density | 122.00 g/cm³ | CAS Common Chemistry |
| 122 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Monocrotophos | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C(OP(=O)(OC)OC)C)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+ | CAS Common Chemistry |
| InChI Key | InChIKey=KRTSDMXIXPKRQR-AATRIKPKSA-N | CAS Common Chemistry |
| Melting Point | 54-55 °C | CAS Common Chemistry |
| Name | Monocrotophos | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.35000000000001 Ų | RDKit |
| 77.35 Ų | RDKit | |
| LogP | 1.894 | RDKit |
| Molar Refractivity | 52.45430000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 223.060959178 g/mol | RDKit |
| Boiling Point | 125 °C @ 760 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.
External Resources
Convert
Quick conversion
MW = 223.16 g/mol; density = 122.000 g/mL. Edit any field — others recompute live.
