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Molecule
4,4′-Bis(Sec-Butylamino)Diphenylmethane
CAS: 5285-60-9 · C21H30N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5285-60-9
- Molecular Formula
- C21H30N2
- Molecular Mass
- 310.49 g/mol
Identifiers
CAS Registry Number
5285-60-9
SMILES
CCC(C)Nc1ccc(Cc2ccc(NC(C)CC)cc2)cc1
InChI Key
YZZTZUHVGICSCS-UHFFFAOYSA-N
InChI
InChI=1S/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3
Names and Synonyms
- 4,4′-Bis(Sec-Butylamino)Diphenylmethane Synonym
- Benzenamine, 4,4′-methylenebis[N-(1-methylpropyl)- Synonym
- Aniline, 4,4′-methylenebis[N-sec-butyl- Synonym
- 4,4′-Methylenebis[N-(1-methylpropyl)benzenamine] Synonym
- 4,4′-Bis(sec-butylamino)diphenylmethane Synonym
- 4,4′-Methylenebis[N-sec-butylaniline] Synonym
- Bis(N-sec-butyl-p-aminophenyl)methane Synonym
- N,N′-Di(2-butyl)-4,4′-methylenedianiline Synonym
- N,N′-Di-sec-butyl-4,4′-methylenedianiline Synonym
- UOP 225 Synonym
- Unilink 4200 Synonym
- DBMDA Synonym
- 4,4′-Di(sec-butylamino)diphenylmethane Synonym
- Ethacure 420 Synonym
- Polylink 4100 Synonym
- Polylink 4200 Synonym
- W 6200 Synonym
- Wanalink 6200 Synonym
- Wanda link 6200 Synonym
- 4,4′-Methylene bis[N-(1-methylpropyl)benzenamine] Synonym
- Dinlink 4200 Synonym
- WK 6200 Synonym
- Polylink 4000 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.49 g/mol | CAS Common Chemistry |
| 310.48499999999996 g/mol | RDKit | |
| 310.485 g/mol | RDKit | |
| Canonical SMILES | C=1C=C(C=CC1NC(C)CC)CC2=CC=C(C=C2)NC(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YZZTZUHVGICSCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-Bis(sec-butylamino)diphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 5.698200000000005 | RDKit |
| 5.6982 | RDKit | |
| Molar Refractivity | 102.44140000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 310.24089896 g/mol | RDKit |
| Boiling Point | 240-250 °C @ 2-3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 310.49 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H30N2.
