Back to Search
Antioxidant Oda
CAS: 101-67-7 | C28H43N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-67-7
Molecular Formula:
C28H43N
Molecular Mass:
393.66 g/mol
Names and Synonyms:
Antioxidant Oda
Benzenamine, 4-octyl-N-(4-octylphenyl)-
Diphenylamine, 4,4′-dioctyl-
4-Octyl-N-(4-octylphenyl)benzenamine
Bis(p-octylphenyl)amine
p,p′-Dioctyldiphenylamine
4,4′-Dioctyldiphenylamine
Nocrac AD
Permanax OD
DAT
Anox NS
Nonflex OD
NSC 79268
Bis(4-octylphenyl)amine
Nonflex OD 3
ODA
Antioxidant ODA
ODA (antioxidant)
ODA 40
TZ 516
Identifiers:
SMILES:
CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1
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
Key Properties
Melting Point
80-90 °C
CAS Common Chemistry
Density
0.99 g/cm³
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 | 393.66 g/mol | CAS Common Chemistry |
| 393.6590000000003 g/mol | RDKit | |
| 393.339550376 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 |
| Molar Refractivity | 130.32670000000005 | RDKit |
