1,4-Benzodioxan-6-amine

C₈H₉NO₂CAS 22013-33-8151.16 g/mol

Open in Covalent MOL file

Ether Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed98% of notifiers
H311 Toxic in contact with skin10.2% of notifiers
H312 Harmful in contact with skin89.8% of notifiers
H315 Causes skin irritation89.8% of notifiers
H319 Causes serious eye irritation87.8% of notifiers
H332 Harmful if inhaled98% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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

12 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
1,4-Benzodioxan-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-ether60835-71-488 % similar 4-Aminobenzo-15-crown-5 hydrochloride111076-66-578 % similar Benzodioxol-5-amine14268-66-775 % similar 3,4-Diethoxyaniline39052-12-573 % similar 2,3-Dihydro-1-benzofuran-5-amine42933-43-761 % similar 1,3-Bis-(2,4-diaminophenoxy)propane81892-72-059 % similar 4-Bromo-3-ethoxybenzenamine125756-95-853 % similar 2,4-Diaminophenoxyethanol70643-19-553 % 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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