CAS 2620-50-0|(1,3-Benzodioxol-5-yl)methylamine|3,4-(Methylenedioxy)benzylamine|2H-1,3-benzodioxol-5-ylmethanamine|5-(Aminomethyl)-1,3-benzodioxole 97%|Piperonylamine|2H-1,3-benzodioxol-5-ylmethanam...

General Information

Structure

Molecular Formula

C₈H₉NO₂

Molecular Mass

151.16256

Exact Mass

151.06332853

Charge

InChI

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

InChIKey

ZILSBZLQGRBMOR-UHFFFAOYSA-N

Canonic Smiles

NCc1ccc2c(c1)OCO2

Isomeric Smiles

O1c2c(ccc(c2)CN)OC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.2550833

LogD (pH = 7.4)

-1.2397192

Log P

0.7222477

Molar Refractivity

40.2983

Polarizability

16.154884

Polar Surface Area

44.48

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(1,3-Benzodioxol-5-yl)methylamine3,4-(Methylenedioxy)benzylamine5-(Aminomethyl)-1,3-benzodioxole 97%Piperonylamine3,4-METHYLENEDIOXYBENZYLAMINE胡椒基胺1,3-Benzodioxole-5-methylaminebenzo[d][1,3]dioxol-5-ylmethanamine3,4-亚甲二氧基苯甲胺Piperonylamine3,4-亚甲二氧基苄胺Piperonylamine1,3-benzodioxol-5-ylmethylamine[(Benzodioxol-5-yl)methyl]amine1,3-Benzodioxol-5-ylmethylamine5-Aminomethyl-1,3-benzodioxole[(Benzo[d][1,3]dioxol-5-yl)methyl]amine1-(1,3-Benzodioxol-5-yl)methanamine1,3-Benzodioxol-5-ylmethanamineNSC 758511,3-Benzodioxole-5-methanamine(Benzo[d][1,3]dioxol-5-yl)methanamine1-(Aminomethyl)-3,4-(methylenedioxy)benzene3,4-Methylenedioxyphenylmethylamine3,4-亚甲二氧基苯甲胺3,4-(Methylenedioxy)benzylamine

IUPAC Traditional name

2H-1,3-benzodioxol-5-ylmethanamine

IUPAC name

2H-1,3-benzodioxol-5-ylmethanamine

Names and Identifiers

Registration numbers

CAS Number

2620-50-0

MDL Number

MFCD00005840

PubChem CID

75799