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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 Weight:
337.59200000000004 g/mol
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
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCCCCCC(=N)O
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-
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 337.59 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)CCCCCCCCCCCC=CCCCCCCCC None | Legacy Database |
| cas-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- None | Legacy Database |
| cas-inchi-key | InChIKey=UAUDZVJPLUQNMU-KTKRTIGZSA-N None | Legacy Database |
| cas-melting-point | 75-80 °C None | Legacy Database |
| cas-name | Erucamide None | Legacy Database |
| LogP | 8.119570000000008 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 337.59200000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 337.334464996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 19 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.08 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.27550000000008 | RDKit |