chempirical

2,3-Dihydro-1,4-benzodioxin-5-amine

C8H9NO2CAS 16081-45-1151.16 g/mol

Open in Covalent MOL file
NH2OO
EtherPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Boiling point
205–207 °C (at 7 Torr)
logP
1.04Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
16081-45-1
SMILES
Nc1cccc2c1OCCO2
InChIKey
DMLRSJNZORFCBD-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5,9H2

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Benzodioxin-5-amine, 2,3-dihydro-
  • 1,4-Benzodioxan-5-amine
  • 5-Amino-1,4-benzodioxan
  • 5-Amino-1,4-benzodioxane
  • 2,3-Ethylenedioxyaniline
  • 5-Amino-2,3-dihydro-1,4-benzodioxin
  • (2,3-Dihydrobenzo-1,4-dioxin-5-yl)amine
  • 2,3-Dihydrobenzo[b]-1,4-dioxin-5-amine

Work with 2,3-Dihydro-1,4-benzodioxin-5-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

2-Ethoxyaniline94-70-248 % similar Benzodioxan493-09-448 % similar 1,4-Benzodioxan-5-carboxylic acid4442-53-944 % similar 4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-444 % similar 2-Amino-6-bromoanisole116557-46-144 % similar Benzo-18-crown-614098-24-943 % similar Benzo-15-crown-514098-44-343 % similar Dibenzo-24-crown-814174-09-543 % 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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