CAS 694-83-7|1,2-CYCLOHEXANEDIAMINE|1,2-cyclohexanediamine|cyclohexane-1,2-diamine|cyclohexane-1,2-diamine|1,2-环己二胺|1,2-Cyclohexanediamine|1,2-Diaminocyclohexane, mixture of cis and trans|DHC 99...

General Information

Structure

Molecular Formula

C₆H₁₄N₂

Molecular Mass

114.18876

Exact Mass

114.11569846

Charge

InChI

InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2

InChIKey

SSJXIUAHEKJCMH-UHFFFAOYSA-N

Canonic Smiles

NC1CCCCC1N

Isomeric Smiles

NC1CCCCC1N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-4.8559394

LogD (pH = 7.4)

-2.7383268

Log P

-0.007973737

Molar Refractivity

33.952

Polarizability

14.118806

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1,2-CYCLOHEXANEDIAMINEcyclohexane-1,2-diamine1,2-环己二胺1,2-Cyclohexanediamine1,2-Diaminocyclohexane, mixture of cis and transDHC 991,2-二氨基环己烷（顺反异构体混合物）1,2-二氨基环己烷, 异构体混合物1,2-Diaminocyclohexane, mixture of isomers

IUPAC Traditional name

1,2-cyclohexanediamine

IUPAC name

cyclohexane-1,2-diamine

Names and Identifiers

Registration numbers

EC Number

211-776-7

CAS Number

694-83-7

PubChem CID

4610