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Molecule
Diphenylethylenediamine
CAS: 35132-20-8 · C14H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35132-20-8
- Molecular Formula
- C14H16N2
- Molecular Mass
- 212.30 g/mol
Identifiers
CAS Registry Number
35132-20-8
SMILES
N[C@H](c1ccccc1)[C@H](N)c1ccccc1
InChI Key
PONXTPCRRASWKW-ZIAGYGMSSA-N
InChI
InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m1/s1
Names and Synonyms
- Diphenylethylenediamine Synonym
- (+)-1,2-Diphenylethylenediamine Synonym
- (R,R)-1,2-Diphenylethylenediamine Synonym
- 1,2-Ethanediamine, 1,2-diphenyl-, (1R,2R)- Synonym
- 1,2-Ethanediamine, 1,2-diphenyl-, [R-(R*,R*)]- Synonym
- (1R,2R)-1,2-Diphenyl-1,2-ethanediamine Synonym
- (R,R)-(+)-Stilbenediamine Synonym
- (+)-Stilbenediamine Synonym
- (1R,2R)-(+)-Diphenylethylenediamine Synonym
- (R,R)-1,2-Diamino-1,2-diphenylethane Synonym
- (1R,2R)-(+)-1,2-Diphenylethylenediamine Synonym
- (R,R)-1,2-Diphenyl-1,2-ethanediamine Synonym
- 1R,2R-(+)-1,2-Diphenylethanediamine Synonym
- (1R,2R)-1,2-Diamino-1,2-diphenylethane Synonym
- (1R,2R)-Diphenylethylenediamine Synonym
- (1R,2R)-1,2-Diphenylethylenediamine Synonym
- (1R,2R)-Diphenylethanediamine Synonym
- 1R,2R-1,2-Diphenylethylenediamine Synonym
- (R,R)-DPEN Synonym
- ((1R,2R)-2-Amino-1,2-diphenylethyl)amine Synonym
- (R,R)-1,2-Diphenyl-1,2-diaminoethane Synonym
- (R,R)-(+)-1,2-Diphenyl-1,2-diaminoethane Synonym
- (1R,2R)-1,2-Diphenylethane-1,2-diamine Synonym
- (1R,2R)-(+)-1,2-Diphenyl-1,2-diaminoethane Synonym
- (R,R)-1,2-Diamino-1,2-diphenylethane Synonym
- (1R,2R)-1,2-Diphenylethan-1,2-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.30 g/mol | CAS Common Chemistry |
| 212.29599999999996 g/mol | RDKit | |
| 212.296 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylethylenediamine | CAS Common Chemistry |
| Canonical SMILES | NC(C=1C=CC=CC1)C(N)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PONXTPCRRASWKW-ZIAGYGMSSA-N | CAS Common Chemistry |
| Melting Point | 78-82 °C @ Solvent: Diethyl ether, Ligroine | CAS Common Chemistry |
| Name | 1R,2R-1,2-Diphenylethylenediamine | CAS Common Chemistry |
| Diphenylethylenediamine | 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 | 2.386400000000001 | RDKit |
| 2.3864 | RDKit | |
| 2.36 | chempirical lib | |
| Molar Refractivity | 66.74080000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 212.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| 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.
External Resources
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MW = 212.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H16N2.
