CAS 29841-69-8|CAS 35132-20-8|(1S,2S)-1,2-diphenylethane-1,2-diamine|diphenylethylenediamine|(1S,2S)-(-)-1,2-Diphenylethylenediamine|(1S,2S)-(-)-1,2-Diphenylethane-1,2-diamine|(1S,2S)-(-)-1,2-Diamin...

General Information

Structure

Molecular Formula

C₁₄H₁₆N₂

Molecular Mass

212.29024

Exact Mass

212.13134852

Charge

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-/m0/s1

InChIKey

PONXTPCRRASWKW-KBPBESRZSA-N

Canonic Smiles

N[C@H]([C@H](c1ccccc1)N)c1ccccc1

Isomeric Smiles

[C@H]([C@@H](N)c1ccccc1)(N)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8482778

LogD (pH = 7.4)

0.31417987

Log P

2.1460378

Molar Refractivity

66.4342

Polarizability

26.751324

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(1S,2S)-1,2-diphenylethane-1,2-diamine

IUPAC Traditional name

diphenylethylenediamine

Synonyms

(1S,2S)-(-)-1,2-Diphenylethylenediamine(1S,2S)-(-)-1,2-Diphenylethane-1,2-diamine(1S,2S)-(-)-1,2-Diamino-1,2-diphenylethaneDPENDiphenylethylenediamine(1S,2S)-(-)-1,2-Diphenylethylenediamine(1S,2S)-(-)-1,2-二苯基乙二胺(1S,2S)-(-)-1,2-二氨基-1,2-二苯基乙烷(1S,2S)-(+)-1,2-二苯基-1,2-乙二胺(1S,2S)-(-)-1,2-Diphenyl-1,2-ethanediamine(1S,2S)-(-)-1,2-Diphenylethylenediamine

Names and Identifiers

Registration numbers

PubChem SID

2486240924866757162034439

CAS Number

MDL Number

Beilstein Number

PubChem CID

Chemspider ID

Wikipedia Title

Diphenylethylenediamine

CHEMBL

467308

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

Diphenylethylenediamine

Sigma Aldrich

364002

Application
Versatile ligand for the formation of metal complexes.1 Used in the synthesis of chiral tropocoronands which have potential utility in asymmetric catalysis.2
Packaging
500 mg in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• For synthesis of enantiopure ethylenediamines by chirality transfer (condensation with diketones followed by reductive cleavage), see: J. Org. Chem ., 57, 6653 (1992).

• Chiral auxiliary and solvation agent; see preceding entry.

• Co-catalyst in the Ru catalyzed enantioselective hydrogenation of aromatic ketones: J. Am. Chem. Soc., 117, 2675 (1995).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

(1S,2S)-1,2-diphenylethane-1,2-diamine

IUPAC Traditional name

diphenylethylenediamine

Synonyms

Registration numbers

PubChem SID

2486240924866757162034439

CAS Number

MDL Number

Beilstein Number

PubChem CID

Chemspider ID

Wikipedia Title

Diphenylethylenediamine

CHEMBL

467308

Molecule Details

Wikipedia

Diphenylethylenediamine

Sigma Aldrich

364002

References

PubChem Literature

From Data Sources

• For synthesis of enantiopure ethylenediamines by chirality transfer (condensation with diketones followed by reductive cleavage), see: J. Org. Chem ., 57, 6653 (1992).

• Chiral auxiliary and solvation agent; see preceding entry.

• Co-catalyst in the Ru catalyzed enantioselective hydrogenation of aromatic ketones: J. Am. Chem. Soc., 117, 2675 (1995).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:68709