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4,4′-Methylenebis[2-Ethylbenzenamine]
CAS: 19900-65-3 | C17H22N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
19900-65-3
Molecular Formula:
C17H22N2
Molecular Mass:
254.38 g/mol
Names and Synonyms:
4,4′-Methylenebis[2-Ethylbenzenamine]
Araldite HY 350
4,4′-Methylenebis[2-ethylbenzamine]
HY 450
Kayahard A-A
C 100S
C 100S (amine)
H 256
H 256 (amine)
4,4′-Methylenebis(2-ethylbenzeneamine)
Lapox K 450
K 450
Acetocure MBOEA
Benzenamine, 4,4′-methylenebis[2-ethyl-
Aniline, 4,4′-methylenebis[2-ethyl-
4,4′-Methylenebis[2-ethylbenzenamine]
4,4′-Diamino-3,3′-diethyldiphenylmethane
4,4′-Methylenebis(2-ethylaniline)
4,4′-Methylenebis(o-ethylaniline)
3,3′-Diethyl-4,4′-diaminodiphenylmethane
Identifiers:
SMILES:
CCc1cc(Cc2ccc(N)c(CC)c2)ccc1N
InChI:
InChI=1S/C17H22N2/c1-3-14-10-12(5-7-16(14)18)9-13-6-8-17(19)15(4-2)11-13/h5-8,10-11H,3-4,9,18-19H2,1-2H3
Key Properties
Melting Point
45.5-46.5 °C @ Solvent: Hexane, Benzene
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 | 254.38 g/mol | CAS Common Chemistry |
| 254.37699999999995 g/mol | RDKit | |
| 254.17829870399999 g/mol | RDKit | |
| Canonical SMILES | NC1=CC=C(C=C1CC)CC2=CC=C(N)C(=C2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C17H22N2/c1-3-14-10-12(5-7-16(14)18)9-13-6-8-17(19)15(4-2)11-13/h5-8,10-11H,3-4,9,18-19H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CBEVWPCAHIAUOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45.5-46.5 °C @ Solvent: Hexane, Benzene | CAS Common Chemistry |
| Name | 4,4′-Methylenebis[2-ethylbenzenamine] | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 3.566600000000002 | RDKit |
| Molar Refractivity | 83.27080000000004 | RDKit |
