Back to Search
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
Names and Synonyms:
Phosphamidon
Phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propen-1-yl dimethyl ester
Phosphoric acid, dimethyl ester, ester with 2-chloro-N,N-diethyl-3-hydroxycrotonamide
Phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester
Dimecron
Phosphamidon
Dimecron 50
Dimecron 100
O,O-Dimethyl-O-1-chloro-1-N-diethyl-carbamoyl-1-propen-2-yl phosphate
Dimecron 20
Phosphamidone
Sundaram 1975
Merkon
Kinadan
Kinadon plus
Identifiers:
SMILES:
CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC
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
Key Properties
Boiling Point
162 °C @ Press: 1.5 Torr
CAS Common Chemistry
Melting Point
-45 °C
CAS Common Chemistry
Density
1.21 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 | 299.69 g/mol | CAS Common Chemistry |
| 299.69100000000003 g/mol | RDKit | |
| 299.068937018 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2132 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphamidon | CAS Common Chemistry |
| Boiling Point | 162 °C @ Press: 1.5 Torr | 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 |
| LogP | 2.7426000000000013 | RDKit |
| Molar Refractivity | 69.19050000000004 | RDKit |
