Back to Search
Propamocarb Hydrochloride
CAS: 25606-41-1 | C9H21ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25606-41-1
Molecular Formula:
C9H21ClN2O2
Molecular Mass:
224.73 g/mol
Names and Synonyms:
Propamocarb Hydrochloride
Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)
Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride
SN 66752
Propamocarb hydrochloride
Previcur N
Propyl 3-(dimethylamino)propylcarbamate monohydrochloride
Previcur Flex
Gentracur
Identifiers:
SMILES:
CCCOC(O)=NCCCN(C)C.Cl
InChI:
InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H
Key Properties
Melting Point
50 °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 | 224.73 g/mol | CAS Common Chemistry |
| 224.73199999999997 g/mol | RDKit | |
| 224.129155592 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(OCCC)NCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H | CAS Common Chemistry |
| InChI Key | InChIKey=MKIMSXGUTQTKJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50 °C | CAS Common Chemistry |
| Name | Propamocarb hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 1.7005000000000001 | RDKit |
| Molar Refractivity | 61.59280000000005 | RDKit |
