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Molecule
Behenamide
CAS: 3061-75-4 · C22H45NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3061-75-4
- Molecular Formula
- C22H45NO
- Molecular Mass
- 339.61 g/mol
Identifiers
CAS Registry Number
3061-75-4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=N)O
InChI Key
ORAWFNKFUWGRJG-UHFFFAOYSA-N
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)
Names and Synonyms
- Behenamide Synonym
- Docosanamide Synonym
- Behenamide Synonym
- Behenic acid amide Synonym
- Behenylamide Synonym
- Kemamide B Synonym
- BNT 22H Synonym
- Behenic amide Synonym
- BNT Synonym
- Diamid B 45 Synonym
- Denon LS 8 Synonym
- Diamid B 90 Synonym
- Diamid BL Synonym
- Crodamide BR Synonym
- Diamid BM Synonym
- BNT (lubricant) Synonym
- Incroslip B Synonym
- Alflow B 10 Synonym
- Lutamide BR Synonym
- BNT 22 Synonym
- BNT 11 Synonym
- Finawax BR Synonym
- Finawax B Synonym
- Diamid BH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 339.61 g/mol | CAS Common Chemistry |
| 339.608 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 |
| 8.3436 | RDKit | |
| 7.88 | chempirical lib | |
| Molar Refractivity | 108.36950000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9545 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 339.35011506 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 339.61 g/mol. Edit any field — others recompute live.
