1-(6-Amino-1,3-benzodioxol-5-yl)ethanone

C₉H₉NO₃CAS 28657-75-2179.17 g/mol

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Ketone Primary Amine

Properties

Molecular formula: C₉H₉NO₃
Molar mass: 179.17 g/mol
Exact mass: 179.0582 Da
Melting point: 170–171 °C
logP: 1.20Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

28657-75-2

SMILES

CC(=O)c1cc2c(cc1N)OCO2

InChIKey

DWTHYSZSRJOMSC-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3

Weigh it out

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

Names and synonyms

10 names

Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-
Acetophenone, 2′-amino-4′,5′-(methylenedioxy)-
4,5-(Methylenedioxy)-2-aminoacetophenone
2-Amino-4,5-(methylenedioxy)acetophenone
2′-Amino-4′,5′-methylenedioxyacetophenone
6-Amino-3,4-methylenedioxyacetophenone
5-Acetyl-6-amino-1,3-benzodioxolane
1-(6-Amino-1,3-dioxaindan-5-yl)ethan-1-one
1-(6-Amino-2H-1,3-benzodioxol-5-yl)ethan-1-one
1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone

Work with 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone

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

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 1-(3-Nitrophenyl)-1-propanone17408-16-1 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0 2-Methoxy-β-nitrostyrene3316-24-3 5-Acetyl-2-hydroxybenzamide40187-51-7 Hippuric acid495-69-2

Elsewhere

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