Back to Search
Molecule
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
Identifiers
CAS Registry Number
24579-73-5
SMILES
CCCOC(O)=NCCCN(C)C
InChI Key
WZZLDXDUQPOXNW-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
Names and Synonyms
- Propamocarb Synonym
- Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester Synonym
- Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester Synonym
- N-(γ-Dimethylaminopropyl)carbamic acid propyl ester Synonym
- SN 39744 Synonym
- Propamocarb Synonym
- Nor-Am 39744 Synonym
- Plantacur E Synonym
- Plantacur Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.27 g/mol | CAS Common Chemistry |
| 188.27099999999996 g/mol | RDKit | |
| 188.271 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 |
| 44.83 Ų | chempirical lib | |
| LogP | 1.2787000000000002 | RDKit |
| 1.2787 | RDKit | |
| Molar Refractivity | 54.34480000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 188.15247788 g/mol | RDKit |
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 = 188.27 g/mol. Edit any field — others recompute live.
