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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
Names and Synonyms:
4,4′-Bis(Sec-Butylamino)Diphenylmethane
Benzenamine, 4,4′-methylenebis[N-(1-methylpropyl)-
Aniline, 4,4′-methylenebis[N-sec-butyl-
4,4′-Methylenebis[N-(1-methylpropyl)benzenamine]
4,4′-Bis(sec-butylamino)diphenylmethane
4,4′-Methylenebis[N-sec-butylaniline]
Bis(N-sec-butyl-p-aminophenyl)methane
N,N′-Di(2-butyl)-4,4′-methylenedianiline
N,N′-Di-sec-butyl-4,4′-methylenedianiline
UOP 225
Unilink 4200
DBMDA
4,4′-Di(sec-butylamino)diphenylmethane
Ethacure 420
Polylink 4100
Polylink 4200
W 6200
Wanalink 6200
Wanda link 6200
4,4′-Methylene bis[N-(1-methylpropyl)benzenamine]
Dinlink 4200
WK 6200
Polylink 4000
Identifiers:
SMILES:
CCC(C)Nc1ccc(Cc2ccc(NC(C)CC)cc2)cc1
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
Key Properties
Boiling Point
240-250 °C @ Press: 2-3 Torr
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 | 310.49 g/mol | CAS Common Chemistry |
| 310.48499999999996 g/mol | RDKit | |
| 310.24089896 g/mol | RDKit | |
| Boiling Point | 240-250 °C @ Press: 2-3 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 102.44140000000006 | RDKit |
