chempirical

2′-Amino-4′,5′-methylenedioxyacetophenone hydrochloride

C9H10ClNO3CAS 93983-01-8215.63 g/mol

Open in Covalent MOL file
OH2NOOHCl
AcetalEtherKetonePrimary amine

Properties

Molecular formula
C9H10ClNO3
Molar mass
215.63 g/mol
Exact mass
215.0349 Da
logP
1.62Crippen estimate
Polar surface area
61.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
93983-01-8
SMILES
CC(=O)c1cc2c(cc1N)OCO2.Cl
InChIKey
PIVDPBIZDWHINL-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3.ClH/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8;/h2-3H,4,10H2,1H3;1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-, hydrochloride (1:1)
  • Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-, hydrochloride
  • 1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone hydrochloride
  • 1-(6-Amino-2H-1,3-benzodioxol-5-yl)ethan-1-one hydrochloride

Work with 2′-Amino-4′,5′-methylenedioxyacetophenone hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-290 % similar 1-(2-Aminophenyl)ethanone hydrochloride25384-14-954 % similar 5-Acetyl-1,3-benzodioxole3162-29-653 % similar 2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride183322-17-045 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-743 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-641 % similar 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-141 % similar 1-(4,5-Dimethoxy-2-nitrophenyl)ethanone4101-32-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-8 3-Chloro-L-tyrosine7423-93-0

Elsewhere

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