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Dichlormid
CAS: 37764-25-3 | C8H11Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37764-25-3
Molecular Formula:
C8H11Cl2NO
Molecular Mass:
208.09 g/mol
Names and Synonyms:
Dichlormid
Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-
Acetamide, 2,2-dichloro-N,N-di-2-propenyl-
Acetamide, N,N-diallyl-2,2-dichloro-
2,2-Dichloro-N,N-di-2-propen-1-ylacetamide
N,N-Diallyl-2,2-dichloroacetamide
R 25788
N,N-Diallyldichloroacetamide
Stauffer R 25788
N,N-Diallyl-α,α-dichloroacetamide
Dichlormid
2,2-Dichloro-N,N-bis(prop-2-enyl)acetamide
Identifiers:
SMILES:
C=CCN(CC=C)C(=O)C(Cl)Cl
InChI:
InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
Key Properties
Boiling Point
130 °C
CAS Common Chemistry
Melting Point
5.5 °C
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 | 208.09 g/mol | CAS Common Chemistry |
| 208.088 g/mol | RDKit | |
| 207.021769332 g/mol | RDKit | |
| Boiling Point | 130 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(CC=C)CC=C)C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YRMLFORXOOIJDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5.5 °C | CAS Common Chemistry |
| Name | Dichlormid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.9907 | RDKit |
| Molar Refractivity | 52.468000000000025 | RDKit |
