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4,4′-Methylenebis[2,6-Diethylaniline]
CAS: 13680-35-8 | C21H30N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13680-35-8
Molecular Formula:
C21H30N2
Molecular Mass:
310.49 g/mol
Names and Synonyms:
4,4′-Methylenebis[2,6-Diethylaniline]
Benzenamine, 4,4′-methylenebis[2,6-diethyl-
Aniline, 4,4′-methylenebis[2,6-diethyl-
4,4′-Methylenebis[2,6-diethylbenzenamine]
3,3′,5,5′-Tetraethyl-4,4′-diaminodiphenylmethane
4,4′-Methylenebis[2,6-diethylaniline]
4,4′-Diamino-3,3′,5,5′-tetraethyldiphenylmethane
Kayabond C 300
Ethacure 208
Kayabond C 300S
Lonzacure M-DEA
M-DEA
C 300S
Bis(3,5-diethyl-4-aminophenyl)methane
Identifiers:
SMILES:
CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N
InChI:
InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3
Key Properties
Melting Point
88-90 °C
CAS Common Chemistry
Density
1.35 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 | 310.49 g/mol | CAS Common Chemistry |
| 310.48500000000007 g/mol | RDKit | |
| 310.24089896 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.35 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | NC=1C(=CC(=CC1CC)CC=2C=C(C(N)=C(C2)CC)CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NWIVYGKSHSJHEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88-90 °C | CAS Common Chemistry |
| Name | 4,4′-Methylenebis[2,6-diethylaniline] | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 4.691400000000003 | RDKit |
| Molar Refractivity | 102.02680000000005 | RDKit |
