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Behenamide
CAS: 3061-75-4 | C22H45NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3061-75-4
Molecular Formula:
C22H45NO
Molecular Mass:
339.61 g/mol
Names and Synonyms:
Behenamide
Docosanamide
Behenamide
Behenic acid amide
Behenylamide
Kemamide B
BNT 22H
Behenic amide
BNT
Diamid B 45
Denon LS 8
Diamid B 90
Diamid BL
Crodamide BR
Diamid BM
BNT (lubricant)
Incroslip B
Alflow B 10
Lutamide BR
BNT 22
BNT 11
Finawax BR
Finawax B
Diamid BH
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=N)O
InChI:
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
Key Properties
Melting Point
111-112 °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 | 339.61 g/mol | CAS Common Chemistry |
| 339.608 g/mol | RDKit | |
| 339.35011506 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=ORAWFNKFUWGRJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-112 °C | CAS Common Chemistry |
| Name | Behenamide | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 8.343570000000009 | RDKit |
| Molar Refractivity | 108.36950000000009 | RDKit |
