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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
13-Docosenamide, (13Z)-
Erucamide
13-Docosenamide, (Z)-
(13Z)-13-Docosenamide
cis-13-Docosenamide
Erucic acid amide
Erucyl amide
Diamid L 200
Kemamide E
Adogen 58
Erucic amide
Armid E
Alflow P 10
Armoslip EPX
Crodamide ER
Loxamid E
Crodamide E
Armoslip E
Erucoyl amide
Kemamide E Ultra
Neutron S
Unislip 1753
Armoslip EXP
Alflow 10
Amide E
E 10
E 10 (amide)
NewS
Fatty Amide E
Atmer SA 1753
Struktol TR 131
TEP BP-SL 1
RX 4515
Ampacet 10090
Chemstat HTSA 22
Proaid AC 18E
Atmer SA 1753FD
SA 1753FD
Lutamide ER
PEX-SLT 01
Atmer 1753
Chemstat HTSA 22-20M
WK 1890
Pinnacle 2530
Finawax ER
Kemamide E Ultrabead
MB-S 1519
Finawax E
L 300
L 300 (amide)
CESA PPA 0050079
Loxiol E SPEZ P
TR 131
P 10
HC 102BF
E 828262
Kao Fatty Amide E
SL 05068PP
Crodamide ER-CH-BE
Chamide SEA
SHHY-A 003
CHMP E 50
SCC 88953
Innoslip E
Crodamide ER-CH-MB-SI
JT 1
JT 1 (amide)
KT 0340
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 8.119570000000008 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.27550000000008 | RDKit |
