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Molecule
Erucamide
CAS: 112-84-5 · C22H43NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-84-5
- Molecular Formula
- C22H43NO
- Molecular Mass
- 337.59 g/mol
Identifiers
CAS Registry Number
112-84-5
SMILES
CCCCCCCC/C=CCCCCCCCCCCCC(=N)O
InChI Key
UAUDZVJPLUQNMU-KTKRTIGZSA-N
InChI
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
Names and Synonyms
- Erucamide Synonym
- 13-Docosenamide, (13Z)- Synonym
- Erucamide Synonym
- 13-Docosenamide, (Z)- Synonym
- (13Z)-13-Docosenamide Synonym
- cis-13-Docosenamide Synonym
- Erucic acid amide Synonym
- Erucyl amide Synonym
- Diamid L 200 Synonym
- Kemamide E Synonym
- Adogen 58 Synonym
- Erucic amide Synonym
- Armid E Synonym
- Alflow P 10 Synonym
- Armoslip EPX Synonym
- Crodamide ER Synonym
- Loxamid E Synonym
- Crodamide E Synonym
- Armoslip E Synonym
- Erucoyl amide Synonym
- Kemamide E Ultra Synonym
- Neutron S Synonym
- Unislip 1753 Synonym
- Armoslip EXP Synonym
- Alflow 10 Synonym
- Amide E Synonym
- E 10 Synonym
- E 10 (amide) Synonym
- NewS Synonym
- Fatty Amide E Synonym
- Atmer SA 1753 Synonym
- Struktol TR 131 Synonym
- TEP BP-SL 1 Synonym
- RX 4515 Synonym
- Ampacet 10090 Synonym
- Chemstat HTSA 22 Synonym
- Proaid AC 18E Synonym
- Atmer SA 1753FD Synonym
- SA 1753FD Synonym
- Lutamide ER Synonym
- PEX-SLT 01 Synonym
- Atmer 1753 Synonym
- Chemstat HTSA 22-20M Synonym
- WK 1890 Synonym
- Pinnacle 2530 Synonym
- Finawax ER Synonym
- Kemamide E Ultrabead Synonym
- MB-S 1519 Synonym
- Finawax E Synonym
- L 300 Synonym
- L 300 (amide) Synonym
- CESA PPA 0050079 Synonym
- Loxiol E SPEZ P Synonym
- TR 131 Synonym
- P 10 Synonym
- HC 102BF Synonym
- E 828262 Synonym
- Kao Fatty Amide E Synonym
- SL 05068PP Synonym
- Crodamide ER-CH-BE Synonym
- Chamide SEA Synonym
- SHHY-A 003 Synonym
- CHMP E 50 Synonym
- SCC 88953 Synonym
- Innoslip E Synonym
- Crodamide ER-CH-MB-SI Synonym
- JT 1 Synonym
- JT 1 (amide) Synonym
- KT 0340 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.59 g/mol | CAS Common Chemistry |
| 337.59200000000004 g/mol | RDKit | |
| 337.592 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CCCCCCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- | CAS Common Chemistry |
| InChI Key | InChIKey=UAUDZVJPLUQNMU-KTKRTIGZSA-N | CAS Common Chemistry |
| Melting Point | 75-80 °C | CAS Common Chemistry |
| Name | Erucamide | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 19 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 8.119570000000008 | RDKit |
| 8.1196 | RDKit | |
| 7.52 | chempirical lib | |
| Molar Refractivity | 108.27550000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8636 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 337.334464996 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.
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MW = 337.59 g/mol. Edit any field — others recompute live.
