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Molecule
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
Identifiers
CAS Registry Number
19900-65-3
SMILES
CCc1cc(Cc2ccc(N)c(CC)c2)ccc1N
InChI Key
CBEVWPCAHIAUOD-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Methylenebis[2-Ethylbenzenamine] Systematic Name
- Aniline, 4,4′-methylenebis[2-ethyl- Synonym
- 4,4′-Methylenebis[2-ethylbenzenamine] Synonym
- Araldite HY 350 Synonym
- 4,4′-Methylenebis[2-ethylbenzamine] Synonym
- HY 450 Synonym
- Kayahard A-A Synonym
- C 100S Synonym
- C 100S (amine) Synonym
- H 256 Synonym
- H 256 (amine) Synonym
- 4,4′-Methylenebis(2-ethylbenzeneamine) Synonym
- Lapox K 450 Synonym
- K 450 Synonym
- Acetocure MBOEA Synonym
- Benzenamine, 4,4′-methylenebis[2-ethyl- Synonym
- 4,4′-Diamino-3,3′-diethyldiphenylmethane Synonym
- 4,4′-Methylenebis(2-ethylaniline) Synonym
- 4,4′-Methylenebis(o-ethylaniline) Synonym
- 3,3′-Diethyl-4,4′-diaminodiphenylmethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.38 g/mol | CAS Common Chemistry |
| 254.37699999999995 g/mol | RDKit | |
| 254.377 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 |
| 3.5666 | RDKit | |
| 3.53 | chempirical lib | |
| Molar Refractivity | 83.27080000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 254.17829870399999 g/mol | RDKit |
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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20
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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 = 254.38 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H22N2.
