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Molecule
4,4′-Methylenebis[2,6-Diethylaniline]
CAS: 13680-35-8 · C21H30N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13680-35-8
- Molecular Formula
- C21H30N2
- Molecular Mass
- 310.49 g/mol
Identifiers
CAS Registry Number
13680-35-8
SMILES
CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N
InChI Key
NWIVYGKSHSJHEF-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Methylenebis[2,6-Diethylaniline] Systematic Name
- Benzenamine, 4,4′-methylenebis[2,6-diethyl- Synonym
- Aniline, 4,4′-methylenebis[2,6-diethyl- Synonym
- 4,4′-Methylenebis[2,6-diethylbenzenamine] Synonym
- 3,3′,5,5′-Tetraethyl-4,4′-diaminodiphenylmethane Synonym
- 4,4′-Methylenebis[2,6-diethylaniline] Synonym
- 4,4′-Diamino-3,3′,5,5′-tetraethyldiphenylmethane Synonym
- Kayabond C 300 Synonym
- Ethacure 208 Synonym
- Kayabond C 300S Synonym
- Lonzacure M-DEA Synonym
- M-DEA Synonym
- C 300S Synonym
- Bis(3,5-diethyl-4-aminophenyl)methane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.49 g/mol | CAS Common Chemistry |
| 310.48500000000007 g/mol | RDKit | |
| 310.485 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 |
| 4.6914 | RDKit | |
| 5.09 | chempirical lib | |
| Molar Refractivity | 102.02680000000005 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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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; density = 1.350 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H30N2.
