chempirical

1,4-Benzodioxan-6-amine

C8H9NO2CAS 22013-33-8151.16 g/mol

Open in Covalent MOL file
H2NOO
EtherPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
207–208 °C
Boiling point
149–150 °C (at 2 Torr)
logP
1.04Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
22013-33-8
SMILES
Nc1ccc2c(c1)OCCO2
InChIKey
BZKOZYWGZKRTIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2

Weigh it out

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

Names and synonyms

11 names
  • 1,4-Benzodioxin-6-amine, 2,3-dihydro-
  • 2,3-Dihydro-1,4-benzodioxin-6-amine
  • 6-Amino-1,4-benzodioxane
  • 3,4-(Ethylenedioxy)aniline
  • 6-Amino-2,3-dihydro-1,4-benzodioxin
  • 2,3-Dihydrobenzo[1,4]dioxin-6-ylamine
  • 2,3-Dihydrobenzo[b][1,4]dioxin-6-amine
  • 6-Amino-2,3-dihydro-1,4-benzodioxine
  • 6-Amino-2,3-dihydrobenzo[b][1,4]dioxane
  • 6-Amino-2,3-dihydrobenzo[b][1,4]dioxine
  • 2,3-Dihydro-1,4-benzodioxin-6-ylamine

Work with 1,4-Benzodioxan-6-amine

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

4-Aminobenzo-15-crown-5 hydrochloride111076-66-578 % similar Benzodioxol-5-amine14268-66-775 % similar 1,3-Bis(2,4-diaminophenoxy)propane81892-72-059 % similar 4-Bromo-3-ethoxybenzenamine125756-95-853 % similar 1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride74918-21-153 % similar 6-Bromo-1,4-benzodioxane52287-51-152 % similar 2,3-Dihydro-1,4-benzodioxin-6-methanamine17413-10-452 % similar 2,4-Diaminophenoxyethanol dihydrochloride66422-95-549 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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