CAS 1653-64-1|CAS 74341-78-9|2-(2H-1,3-benzodioxol-5-yl)ethan-1-amine hydrochloride|methylenedioxyphenethylamine hydrochloride|3,4-Methylenedioxyphenethylamine hydrochloride|3,4-亚甲二氧苯乙胺盐酸...

General Information

Structure

Molecular Formula

C₉H₁₂ClNO₂

Molecular Mass

201.65008

Exact Mass

201.05565631

Charge

InChI

InChI=1S/C9H11NO2.ClH/c10-4-3-7-1-2-8-9(5-7)12-6-11-8;/h1-2,5H,3-4,6,10H2;1H

InChIKey

NDYXFQODWGEGNU-UHFFFAOYSA-N

Canonic Smiles

NCCc1ccc2c(c1)OCO2.Cl

Isomeric Smiles

c1cc(cc2c1OCO2)CCN.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.9987578

LogD (pH = 7.4)

-1.2906759

Log P

1.010909

Molar Refractivity

45.0533

Polarizability

17.920794

Polar Surface Area

44.48

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-(2H-1,3-benzodioxol-5-yl)ethan-1-amine hydrochloride

IUPAC Traditional name

methylenedioxyphenethylamine hydrochloride

Synonyms

3,4-Methylenedioxyphenethylamine hydrochloride3,4-亚甲二氧苯乙胺盐酸盐3,4-Methylenedioxyphenethylamine hydrochloride(±)-N-乙基-3,4-亚甲基二氧苯异丙胺盐酸盐(±)-N-Ethyl-3,4-methylenedioxyamphetamine hydrochloride2-[3,4-(Methylenedioxy)phenyl]ethylamine hydrochloride2-(1,3-Benzodioxol-5-yl)ethylamine hydrochlorideHomopiperonylamine hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00035193MFCD01659568

CAS Number

1653-64-174341-78-9

PubChem SID

24879873160971870

PubChem CID

74246

Registration numbers

Properties