CAS 140-28-3|benzyl[2-(benzylamino)ethyl]amine|DI-o-TOLYLETHYLENEDIAMINE|benzathine|Benzathine|N,N′-Dibenzylethylenediamine|DBED|N,N′-二苄基乙二胺|N1,N2-Dibenzylethane-1,2-diamine|N,N'-二苄基乙二...

General Information

Structure

Molecular Formula

C₁₆H₂₀N₂

Molecular Mass

240.3434

Exact Mass

240.16264865

Charge

0

InChI

InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2

InChIKey

JUHORIMYRDESRB-UHFFFAOYSA-N

Canonic Smiles

N(Cc1ccccc1)CCNCc1ccccc1

Isomeric Smiles

C(CNCc1ccccc1)NCc1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

1.32

LogD (pH = 5.5)

-0.82

Log P

2.89

Rotatable Bonds

7

H Donor

2

H Acceptors

2

Lipinski's Rule of Five

true

Acid pKa

8.95

Polar Surface Area

24.06

Polarizability

29.16

Molar Refractivity

76.64

LOG S

-2.51

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

benzyl[2-(benzylamino)ethyl]amine

Synonyms

DI-o-TOLYLETHYLENEDIAMINEBenzathineN,N′-DibenzylethylenediamineDBEDN,N′-二苄基乙二胺N1,N2-Dibenzylethane-1,2-diamineN,N'-二苄基乙二胺N,N'-DibenzylethylenediamineBenzathine1,2-Bis(benzylamino)ethaneN,N'-dibenzyl-1,2-ethylenediaminebenzathineN,N'-dibenzylethylenediamine1,2-bis(benzylamino)ethaneDBED

IUPAC Traditional name

benzathine

Names and Identifiers

Registration numbers

EC Number

Chemspider ID

PubChem CID

CHEBI ID