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Molecule
N-Isopropyl-N'-Phenyl-1,4-Phenylenediamine
CAS: 101-72-4 · C15H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-72-4
- Molecular Formula
- C15H18N2
- Molecular Mass
- 226.32 g/mol
Identifiers
CAS Registry Number
101-72-4
SMILES
CC(C)Nc1ccc(Nc2ccccc2)cc1
InChI Key
OUBMGJOQLXMSNT-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
Names and Synonyms
- N-Isopropyl-N'-Phenyl-1,4-Phenylenediamine Synonym
- 1,4-Benzenediamine, N1-(1-methylethyl)-N4-phenyl- Synonym
- p-Phenylenediamine, N-isopropyl-N′-phenyl- Synonym
- 1,4-Benzenediamine, N-(1-methylethyl)-N′-phenyl- Synonym
- N1-(1-Methylethyl)-N4-phenyl-1,4-benzenediamine Synonym
- Cyzone IP Synonym
- 4-(Isopropylamino)diphenylamine Synonym
- N-Isopropyl-N′-phenyl-p-phenylenediamine Synonym
- Nonox ZA Synonym
- N-2-Propyl-N′-phenyl-p-phenylenediamine Synonym
- Santoflex 36 Synonym
- 4010NA Synonym
- Diafen FP Synonym
- N-Phenyl-N1-isopropyl-p-phenylenediamine Synonym
- Santoflex IP Synonym
- Antioxidant IP Synonym
- Ipognox 44 Synonym
- Antioxidant 4010NA Synonym
- N-Isopropyl-N′-phenyl-p-phenyldiamine Synonym
- N-Phenyl-N′-isopropyl-p-phenylenediamine Synonym
- Flexzone 3C Synonym
- p-(Isopropylamino)diphenylamine Synonym
- ASM 4010MA Synonym
- Permanax 115 Synonym
- Orflex PP Synonym
- Antioxidant 40NA Synonym
- N-Isopropyl-N′-phenyl-1,4-phenylenediamine Synonym
- Diaphen FP Synonym
- 4-Anilino-N-isopropylaniline Synonym
- N-Phenyl-N′-isopropyl-1,4-phenylenediamine Synonym
- Antigene 3C Synonym
- Antigen 3C Synonym
- Nocrac 810NA Synonym
- Accinox ZA Synonym
- Vulkanox 4010NA Synonym
- NA 4010 Synonym
- IPPD Synonym
- 810NA Synonym
- Naugard I 4 Synonym
- Vulkanox 4020NA Synonym
- Permanax IPPD Synonym
- Diafen PP Synonym
- Dusantox IPPD Synonym
- Antioxidant CD Synonym
- AO-CD Synonym
- Santoflex IPPD Synonym
- Nocrac 3C Synonym
- Antage 3C Synonym
- NSC 41029 Synonym
- N-(1-Methylethyl)-N′-phenyl-1,4-benzenediamine Synonym
- Vulkanox 4010NA-LG Synonym
- Nocrac 810MA Synonym
- Flexzone 3P Synonym
- Diaphene FP Synonym
- 4-Isopropylamino-1-phenylaminobenzene Synonym
- N-Isopropyl-N′-phenyl-1,4-benzenediamine Synonym
- Ozonone 3C Synonym
- N 1040 Synonym
- N-Isopropyl-N′-phenyl-4-phenylenediamine Synonym
- Vulkanox 4010A Synonym
- N-Isopropyl-N′-phenyl-p-phenylendiamine Synonym
- Vulkanox 4010 Synonym
- 4010A Synonym
- Antiozonant PD 1 Synonym
- PD 1 Synonym
- Antioxidant 4010A Synonym
- Antioxidant 3C Synonym
- N-Phenyl-N′-isopropyl-p-phenylanediamine Synonym
- Antioxidant IPPD Synonym
- 1-N-Phenyl-4-N-(propan-2-yl)benzene-1,4-diamine Synonym
- 1-N-Phenyl-4-N-propan-2-ylbenzene-1,4-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.32 g/mol | CAS Common Chemistry |
| 226.323 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.04 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Isopropyl-N%27-phenyl-1,4-phenylenediamine | CAS Common Chemistry |
| Boiling Point | 161 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)NC2=CC=C(C=C2)NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OUBMGJOQLXMSNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | Antioxidant 4010NA | CAS Common Chemistry |
| N-Isopropyl-N'-phenyl-1,4-phenylenediamine | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 4.250500000000002 | RDKit |
| 4.2505 | RDKit | |
| Molar Refractivity | 74.92540000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 226.146998576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | DEPT | Assignment |
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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 = 226.32 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H18N2.
