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Propamocarb
CAS: 24579-73-5 | C9H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24579-73-5
Molecular Formula:
C9H20N2O2
Molecular Mass:
188.27 g/mol
Names and Synonyms:
Propamocarb
Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester
Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester
N-(γ-Dimethylaminopropyl)carbamic acid propyl ester
SN 39744
Propamocarb
Nor-Am 39744
Plantacur E
Plantacur
Identifiers:
SMILES:
CCCOC(O)=NCCCN(C)C
InChI:
InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
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 | 188.27 g/mol | CAS Common Chemistry |
| 188.27099999999996 g/mol | RDKit | |
| 188.15247788 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propamocarb | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCC)NCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=WZZLDXDUQPOXNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propamocarb | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 45.06 Ų | RDKit |
| LogP | 1.2787000000000002 | RDKit |
| Molar Refractivity | 54.34480000000004 | RDKit |
