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4,4′-Ethylenedianiline
CAS: 621-95-4 | C14H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
621-95-4
Molecular Formula:
C14H16N2
Molecular Mass:
212.30 g/mol
Names and Synonyms:
4,4′-Ethylenedianiline
Benzenamine, 4,4′-(1,2-ethanediyl)bis-
α,α′-Bi-p-toluidine
4,4′-(1,2-Ethanediyl)bis[benzenamine]
4,4′-Diaminobibenzyl
1,2-Bis(p-aminophenyl)ethane
1,2-Bis(4-aminophenyl)ethane
4,4′-Ethylenedianiline
4,4′-Diaminodibenzyl
4,4′-Dibenzyldiamine
4,4′-Diaminodiphenylethane
p,p′-Diaminobibenzyl
p,p′-Diaminodibenzyl
4,4′-Ethylenebisaniline
NSC 44062
NSC 580
NSC 60033
1,2-Di(4-aminophenyl)ethane
4,4′-Diamino-1,2-diphenylethane
Identifiers:
SMILES:
Nc1ccc(CCc2ccc(N)cc2)cc1
InChI:
InChI=1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2
Key Properties
Melting Point
137 °C
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 | 212.30 g/mol | CAS Common Chemistry |
| 212.29600000000002 g/mol | RDKit | |
| 212.131348512 g/mol | RDKit | |
| Canonical SMILES | NC1=CC=C(C=C1)CCC2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UHNUHZHQLCGZDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137 °C | CAS Common Chemistry |
| Name | 4,4′-Ethylenedianiline | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 2.6362000000000005 | RDKit |
| Molar Refractivity | 69.11680000000003 | RDKit |
