CAS 22013-33-8|6-Amino-1,4-benzodioxane|2,3-dihydro-1,4-benzodioxin-6-amine|6-Amino-2,3-dihydro-1,4-benzodioxine|2,3-dihydro-1,4-benzodioxin-6-amine|3,4-Ethylenedioxyaniline|2,3-Dihydro-1,4-benzodio...

General Information

Structure

Molecular Formula

C₈H₉NO₂

Molecular Mass

151.16256

Exact Mass

151.06332853

Charge

InChI

InChI=1S/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2

InChIKey

BZKOZYWGZKRTIB-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)OCCO2

Isomeric Smiles

O1c2c(ccc(c2)N)OCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.6107293

LogD (pH = 7.4)

0.65683144

Log P

0.6574524

Molar Refractivity

41.7158

Polarizability

15.781743

Polar Surface Area

44.48

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

6-Amino-2,3-dihydro-1,4-benzodioxine6-Amino-1,4-benzodioxane3,4-Ethylenedioxyaniline2,3-Dihydro-1,4-benzodioxin-6-amine2,3-dihydrobenzo[b][1,4]dioxin-6-amine6-Amino-1,4-benzodioxan6-氨基-1,4-苯并二氧杂环1,4-Benzodioxan-6-amine1,4-苯并二氧六环-6-胺1,4-苯并二恶烷-6-胺3,4-(Ethylenedioxy)aniline

IUPAC name

2,3-dihydro-1,4-benzodioxin-6-amine

IUPAC Traditional name

2,3-dihydro-1,4-benzodioxin-6-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD00006824

CAS Number

22013-33-8

PubChem SID

24851588162077965