CAS 114562-59-3|CAS 74698-47-8|N-[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl]hydroxylamine|N-[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl]hydroxylamine|Methylenedioxyhydroxyamphetamine|(±)-N-Hydroxy MDA|(±...

General Information

Structure

Molecular Formula

C₁₀H₁₃NO₃

Molecular Mass

195.21512

Exact Mass

195.08954328

Charge

InChI

InChI=1S/C10H13NO3/c1-7(11-12)4-8-2-3-9-10(5-8)14-6-13-9/h2-3,5,7,11-12H,4,6H2,1H3

InChIKey

FNDCTJYFKOQGTL-UHFFFAOYSA-N

Canonic Smiles

ONC(Cc1ccc2c(c1)OCO2)C

Isomeric Smiles

CC(Cc1cc2c(cc1)OCO2)NO

Calculated Properties

JChem

Acid pKa

15.642844

H Acceptors

H Donor

LogD (pH = 5.5)

1.4711034

LogD (pH = 7.4)

1.5352403

Log P

1.5361224

Molar Refractivity

61.7295

Polarizability

20.395277

Polar Surface Area

50.72

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

N-[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl]hydroxylamine

IUPAC name

N-[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl]hydroxylamine

Synonyms

Methylenedioxyhydroxyamphetamine(±)-N-Hydroxy MDA(±)-N-羟基-3,4-亚甲基双氧安非他命(±)-N-Hydroxy-3,4-methylenedioxyamphetamine(±)-N-Hydroxy-3,4-(methylenedioxy)amphetamineN-Hydroxy-α-methyl-1,3-benzodioxole-5-ethanamineN-Hydroxy-3,4-methylenedioxy AmphetamineN-Hydroxy MDA3,4-Methylenedioxy-N-hydroxyamphetamine

Names and Identifiers

Registration numbers

CAS Number

114562-59-374698-47-8

MDL Number

MFCD00274047

Chemspider ID

88979

Wikipedia Title

Methylenedioxyhydroxyamphetamine

PubChem CID

98528