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Molecule
N,N'-Di-2-Butyl-1,4-Phenylenediamine
CAS: 101-96-2 · C14H24N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-96-2
- Molecular Formula
- C14H24N2
- Molecular Mass
- 220.36 g/mol
Identifiers
CAS Registry Number
101-96-2
SMILES
CCC(C)Nc1ccc(NC(C)CC)cc1
InChI Key
FSWDLYNGJBGFJH-UHFFFAOYSA-N
InChI
InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
Names and Synonyms
- N,N'-Di-2-Butyl-1,4-Phenylenediamine Systematic Name
- 1,4-Benzenediamine, N1,N4-bis(1-methylpropyl)- Synonym
- p-Phenylenediamine, N,N′-di-sec-butyl- Synonym
- 1,4-Benzenediamine, N,N′-bis(1-methylpropyl)- Synonym
- N1,N4-Bis(1-methylpropyl)-1,4-benzenediamine Synonym
- N,N′-Di-sec-butyl-p-phenylenediamine Synonym
- Du Pont Gasoline Antioxidant No. 22 Synonym
- Topanol M Synonym
- N,N′-Di-sec-butyl-n-phenylenediamine Synonym
- Antioxidant 22 Synonym
- N,N′-Di-sec-butyl-p-phenyldiamine Synonym
- Tenamene 2 Synonym
- UOP 5 Synonym
- Kerobit BPD Synonym
- Naugalube 403 Synonym
- Unilink 4100 Synonym
- Sumilizer BPAM 1 Synonym
- Santoflex 44 Synonym
- Cerobit BPD Synonym
- N,N′-Di-sec-butyl-1,4-phenylenediamine Synonym
- 1,4-Bis-(sec-butylamino)benzene Synonym
- NSC 68417 Synonym
- N,N′-Bis(1-methylpropyl)-1,4-benzenediamine Synonym
- Sumilizer BPA Synonym
- Ethanox 4720 Synonym
- N,N′-Di-2-butyl-p-phenylenediamine Synonym
- Antioxidant 4720 Synonym
- Santoflex 44PD Synonym
- Antioxidant 44PD Synonym
- N,N′-Di-2-butyl-1,4-phenylenediamine Synonym
- 1-N,4-N-Di(butan-2-yl)benzene-1,4-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.36 g/mol | CAS Common Chemistry |
| 220.35999999999999 g/mol | RDKit | |
| Density | 94.00 g/cm³ | CAS Common Chemistry |
| 94 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N%27-Di-2-butyl-1,4-phenylenediamine | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1NC(C)CC)NC(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FSWDLYNGJBGFJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 18 °C | CAS Common Chemistry |
| Name | N,N′-Di-sec-butyl-p-phenylenediamine | CAS Common Chemistry |
| N,N'-Di-2-butyl-1,4-phenylenediamine | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 4.107400000000003 | RDKit |
| 4.1074 | RDKit | |
| Molar Refractivity | 73.19340000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 220.19394876799998 g/mol | RDKit |
| Boiling Point | 98 °C @ 0.200 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
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MW = 220.36 g/mol; density = 94.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H24N2.
