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Molecule
4,4′-Bis(Α,Α-Dimethylbenzyl)Diphenylamine
CAS: 10081-67-1 · C30H31N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10081-67-1
- Molecular Formula
- C30H31N
- Molecular Mass
- 405.59 g/mol
Identifiers
CAS Registry Number
10081-67-1
SMILES
CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChI Key
UJAWGGOCYUPCPS-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Bis(Α,Α-Dimethylbenzyl)Diphenylamine Synonym
- Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]- Synonym
- Diphenylamine, 4,4′-bis(α,α-dimethylbenzyl)- Synonym
- 4-(1-Methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]benzenamine Synonym
- Naugard 445 Synonym
- Bis[4-(2-phenyl-2-propyl)phenyl]amine Synonym
- Permanax 49HV Synonym
- 4,4′-Bis(α,α′-dimethylbenzyl)diphenylamine Synonym
- 4,4′-Bis(α,α-dimethylbenzyl)diphenylamine Synonym
- Permanax 49 Synonym
- Antioxidant 445 Synonym
- Nocrac CD Synonym
- Bis(p-cumylphenyl)amine Synonym
- MD 40 Synonym
- MD 40 (antioxidant) Synonym
- KY 405 Synonym
- Nonflex DCD Synonym
- Bis(phenylisopropylidene)-4,4′-diphenylamine Synonym
- AO 445 Synonym
- 4-(1-Methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]aniline Synonym
- RDZ Synonym
- 4,4′-Bis(dimethylbenzyl)diphenylamine Synonym
- Naugalube AMS Synonym
- Dusantox CDPA-HP Synonym
- 4,4′-Bis(1,1-dimethylbenzyl)diphenylamine Synonym
- Luvomaxx CDPA Synonym
- N,N-Bis[4-(2-phenylpropan-2-yl)phenyl]amine Synonym
- KY 445 Synonym
- NA 445 Synonym
- MC 445 Synonym
- N 445 Synonym
- Naugard N 445 Synonym
- ZM 405 Synonym
- 4-(1-Methylphenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]benzenamine Synonym
- HS 911 Synonym
- MBPA (antioxidant) Synonym
- MBPA Synonym
- Alchem MBPA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 405.59 g/mol | CAS Common Chemistry |
| 405.5850000000001 g/mol | RDKit | |
| 405.585 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 |
| 8.082 | RDKit | |
| Molar Refractivity | 133.30669999999995 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 405.245649992 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 405.59 g/mol. Edit any field — others recompute live.
