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Molecule
6Ppd
CAS: 793-24-8 · C18H24N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 793-24-8
- Molecular Formula
- C18H24N2
- Molecular Mass
- 268.40 g/mol
Identifiers
CAS Registry Number
793-24-8
SMILES
CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1
InChI Key
ZZMVLMVFYMGSMY-UHFFFAOYSA-N
InChI
InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3
Names and Synonyms
- 6Ppd Systematic Name
- 1,4-Benzenediamine, N1-(1,3-dimethylbutyl)-N4-phenyl- Synonym
- p-Phenylenediamine, N-(1,3-dimethylbutyl)-N′-phenyl- Synonym
- 1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N′-phenyl- Synonym
- N1-(1,3-Dimethylbutyl)-N4-phenyl-1,4-benzenediamine Synonym
- N-(4-Methyl-2-pentyl)-N′-phenyl-p-phenylenediamine Synonym
- Santoflex 13 Synonym
- N-(1,3-Dimethylbutyl)-N′-phenyl-p-phenylenediamine Synonym
- Antioxidant 4020 Synonym
- N-Phenyl-N′-(1,3-dimethylbutyl)-p-phenylenediamine Synonym
- Permanax 120 Synonym
- Wingstay 300 Synonym
- Diafen 13 Synonym
- Vulkanox 4020 Synonym
- Nocrac 6C Synonym
- N-(1,3-Dimethylbutyl)-N′-phenyl-1,4-phenylenediamine Synonym
- Flexzone 7L Synonym
- Santoflex 13F Synonym
- Antozite 67 Synonym
- Antozite 67F Synonym
- Flexzone 7F Synonym
- DBDA Synonym
- UOP 562 Synonym
- UOP 588 Synonym
- Permanax 6PPD Synonym
- DMBPD Synonym
- CD 13 Synonym
- Dusantox 6PPD Synonym
- Antioxidant CD 13 Synonym
- Antage 6C Synonym
- Forte 6C Synonym
- Diafen FDMB Synonym
- N-Phenyl-N′-(1,3-dimethylbutyl)-1,4-phenylenediamine Synonym
- Santoflex 6PPD Synonym
- 6PPD Synonym
- Flexzone 7P Synonym
- Vulkanox 4020LG Synonym
- Pilflex 13 Synonym
- Accinox ZC Synonym
- N-(1,3-Dimethylbutyl)-N′-phenyl-1,4-benzenediamine Synonym
- 4-(1,3-Dimethylbutylamino)diphenylamine Synonym
- Ozonone 6C Synonym
- CI Synonym
- Luvomaxx 6PPD Synonym
- Antigene 6C Synonym
- Nocceler 6C Synonym
- Antioxidant 6C Synonym
- Kumanox 13 Synonym
- Antioxidant PD 2 Synonym
- PD 2 Synonym
- 1-N-(4-Methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine Synonym
- Kumanox 13C Synonym
- Sunsine 6PPD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.40 g/mol | CAS Common Chemistry |
| 268.404 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.07 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/6PPD | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)NC2=CC=C(C=C2)NC(C)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZZMVLMVFYMGSMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50 °C | CAS Common Chemistry |
| Name | Antioxidant 4020 | CAS Common Chemistry |
| 6PPD | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 5.2767000000000035 | RDKit |
| 5.2767 | RDKit | |
| Molar Refractivity | 88.70640000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 268.193948768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 268.40 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
