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N,N'-Di-2-Butyl-1,4-Phenylenediamine
CAS: 101-96-2 | C14H24N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-96-2
Molecular Formula:
C14H24N2
Molecular Mass:
220.36 g/mol
Names and Synonyms:
N,N'-Di-2-Butyl-1,4-Phenylenediamine
1,4-Benzenediamine, N1,N4-bis(1-methylpropyl)-
p-Phenylenediamine, N,N′-di-sec-butyl-
1,4-Benzenediamine, N,N′-bis(1-methylpropyl)-
N1,N4-Bis(1-methylpropyl)-1,4-benzenediamine
N,N′-Di-sec-butyl-p-phenylenediamine
Du Pont Gasoline Antioxidant No. 22
Topanol M
N,N′-Di-sec-butyl-n-phenylenediamine
Antioxidant 22
N,N′-Di-sec-butyl-p-phenyldiamine
Tenamene 2
UOP 5
Kerobit BPD
Naugalube 403
Unilink 4100
Sumilizer BPAM 1
Santoflex 44
Cerobit BPD
N,N′-Di-sec-butyl-1,4-phenylenediamine
1,4-Bis-(sec-butylamino)benzene
NSC 68417
N,N′-Bis(1-methylpropyl)-1,4-benzenediamine
Sumilizer BPA
Ethanox 4720
N,N′-Di-2-butyl-p-phenylenediamine
Antioxidant 4720
Santoflex 44PD
Antioxidant 44PD
N,N′-Di-2-butyl-1,4-phenylenediamine
1-N,4-N-Di(butan-2-yl)benzene-1,4-diamine
Identifiers:
SMILES:
CCC(C)Nc1ccc(NC(C)CC)cc1
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
Key Properties
Boiling Point
98 °C @ Press: 0.200 Torr
CAS Common Chemistry
Melting Point
18 °C
CAS Common Chemistry
Density
94.00 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 | 220.36 g/mol | CAS Common Chemistry |
| 220.35999999999999 g/mol | RDKit | |
| 220.19394876799998 g/mol | RDKit | |
| Density | 94.00 g/cm³ | CAS Common Chemistry |
| 94 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N%27-Di-2-butyl-1,4-phenylenediamine | CAS Common Chemistry |
| Boiling Point | 98 °C @ Press: 0.200 Torr | 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 |
| Molar Refractivity | 73.19340000000005 | RDKit |
