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Molecule
Antioxidant Oda
CAS: 101-67-7 · C28H43N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-67-7
- Molecular Formula
- C28H43N
- Molecular Mass
- 393.66 g/mol
Identifiers
CAS Registry Number
101-67-7
SMILES
CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1
InChI Key
QAPVYZRWKDXNDK-UHFFFAOYSA-N
InChI
InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
Names and Synonyms
- Antioxidant Oda Synonym
- Benzenamine, 4-octyl-N-(4-octylphenyl)- Synonym
- Diphenylamine, 4,4′-dioctyl- Synonym
- 4-Octyl-N-(4-octylphenyl)benzenamine Synonym
- Bis(p-octylphenyl)amine Synonym
- p,p′-Dioctyldiphenylamine Synonym
- 4,4′-Dioctyldiphenylamine Synonym
- Nocrac AD Synonym
- Permanax OD Synonym
- DAT Synonym
- Anox NS Synonym
- Nonflex OD Synonym
- NSC 79268 Synonym
- Bis(4-octylphenyl)amine Synonym
- Nonflex OD 3 Synonym
- ODA Synonym
- Antioxidant ODA Synonym
- ODA (antioxidant) Synonym
- ODA 40 Synonym
- TZ 516 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 393.66 g/mol | CAS Common Chemistry |
| 393.6590000000003 g/mol | RDKit | |
| 393.659 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.99 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | C=1C=C(C=CC1NC2=CC=C(C=C2)CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QAPVYZRWKDXNDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-90 °C | CAS Common Chemistry |
| Name | Antioxidant ODA | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 9.236199999999998 | RDKit |
| 9.2362 | RDKit | |
| Molar Refractivity | 130.32670000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 393.339550376 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
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.
External Resources
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MW = 393.66 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
