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Molecule
Phosphamidon
CAS: 13171-21-6 · C10H19ClNO5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13171-21-6
- Molecular Formula
- C10H19ClNO5P
- Molecular Mass
- 299.69 g/mol
Identifiers
CAS Registry Number
13171-21-6
SMILES
CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC
InChI Key
RGCLLPNLLBQHPF-UHFFFAOYSA-N
InChI
InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3
Names and Synonyms
- Phosphamidon Common Name
- Phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propen-1-yl dimethyl ester Synonym
- Phosphoric acid, dimethyl ester, ester with 2-chloro-N,N-diethyl-3-hydroxycrotonamide Synonym
- Phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester Synonym
- Dimecron Synonym
- Phosphamidon Synonym
- Dimecron 50 Synonym
- Dimecron 100 Synonym
- O,O-Dimethyl-O-1-chloro-1-N-diethyl-carbamoyl-1-propen-2-yl phosphate Synonym
- Dimecron 20 Synonym
- Phosphamidone Synonym
- Sundaram 1975 Synonym
- Merkon Synonym
- Kinadan Synonym
- Kinadon plus Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.69 g/mol | CAS Common Chemistry |
| 299.69100000000003 g/mol | RDKit | |
| 299.691 g/mol | RDKit | |
| 299.688 g/mol | chempirical lib | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2132 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphamidon | CAS Common Chemistry |
| Canonical SMILES | O=C(C(Cl)=C(OP(=O)(OC)OC)C)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RGCLLPNLLBQHPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -45 °C | CAS Common Chemistry |
| Name | Phosphamidon | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.07000000000001 Ų | RDKit |
| 65.07 Ų | RDKit | |
| LogP | 2.7426000000000013 | RDKit |
| 2.7426 | RDKit | |
| 2.67 | chempirical lib | |
| Molar Refractivity | 69.19050000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 299.068937018 g/mol | RDKit |
| Boiling Point | 162 °C @ 1.5 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 = 299.69 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
