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4,4′-Bis(Α,Α-Dimethylbenzyl)Diphenylamine
CAS: 10081-67-1 | C30H31N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10081-67-1
Molecular Formula:
C30H31N
Molecular Mass:
405.59 g/mol
Names and Synonyms:
4,4′-Bis(Α,Α-Dimethylbenzyl)Diphenylamine
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
Diphenylamine, 4,4′-bis(α,α-dimethylbenzyl)-
4-(1-Methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]benzenamine
Naugard 445
Bis[4-(2-phenyl-2-propyl)phenyl]amine
Permanax 49HV
4,4′-Bis(α,α′-dimethylbenzyl)diphenylamine
4,4′-Bis(α,α-dimethylbenzyl)diphenylamine
Permanax 49
Antioxidant 445
Nocrac CD
Bis(p-cumylphenyl)amine
MD 40
MD 40 (antioxidant)
KY 405
Nonflex DCD
Bis(phenylisopropylidene)-4,4′-diphenylamine
AO 445
4-(1-Methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]aniline
RDZ
4,4′-Bis(dimethylbenzyl)diphenylamine
Naugalube AMS
Dusantox CDPA-HP
4,4′-Bis(1,1-dimethylbenzyl)diphenylamine
Luvomaxx CDPA
N,N-Bis[4-(2-phenylpropan-2-yl)phenyl]amine
KY 445
NA 445
MC 445
N 445
Naugard N 445
ZM 405
4-(1-Methylphenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]benzenamine
HS 911
MBPA (antioxidant)
MBPA
Alchem MBPA
Identifiers:
SMILES:
CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChI:
InChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3
Key Properties
Melting Point
99-100 °C @ Solvent: Hexane
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 | 405.59 g/mol | CAS Common Chemistry |
| 405.5850000000001 g/mol | RDKit | |
| 405.245649992 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C=4C=CC=CC4)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UJAWGGOCYUPCPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99-100 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | 4,4′-Bis(α,α-dimethylbenzyl)diphenylamine | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 8.082000000000008 | RDKit |
| Molar Refractivity | 133.30669999999995 | RDKit |
