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Ammonium Stearate
CAS: 1002-89-7 | C18H39NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1002-89-7
Molecular Formula:
C18H39NO2
Molecular Mass:
301.51 g/mol
Names and Synonyms:
Ammonium Stearate
Octadecanoic acid, ammonium salt (1:1)
Stearic acid, ammonium salt
Octadecanoic acid, ammonium salt
Ammonium stearate
Stanfax 320
Nopco DC 100A
Nopcote DC 100A
Stokal STA
Kanebinol YC 81
YC 81
DC 100A
Ligafluid AS 35
Vicarlan BA
DT 1008
HMY 630
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.N
InChI:
InChI=1S/C18H36O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H3
Key Properties
Melting Point
22 °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 | 301.51 g/mol | CAS Common Chemistry |
| 301.51499999999993 g/mol | RDKit | |
| 301.29807948800004 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCCCCC.N | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JPNZKPRONVOMLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 22 °C | CAS Common Chemistry |
| Name | Ammonium stearate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | 6.494500000000006 | RDKit |
| Molar Refractivity | 92.20390000000008 | RDKit |
