Benzodioxol-5-amine

C₇H₇NO₂CAS 14268-66-7137.14 g/mol

Open in Covalent MOL file

Acetal Ether Primary amine

Properties

Molecular formula: C₇H₇NO₂
Molar mass: 137.14 g/mol
Exact mass: 137.0477 Da
Melting point: 44.5–45.5 °C
Boiling point: 97 °C (at 0.2 Torr)
logP: 1.00Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed15.7% of notifiers
H312 Harmful in contact with skin13.7% of notifiers
H315 Causes skin irritation96.1% of notifiers
H319 Causes serious eye irritation96.1% of notifiers
H332 Harmful if inhaled13.7% of notifiers
H335 May cause respiratory irritation86.3% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

14268-66-7

SMILES

Nc1ccc2c(c1)OCO2

InChIKey

XGNXYCFREOZBOL-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2

Weigh it out

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

Names and synonyms

18 names · show all

1,3-Benzodioxol-5-amine
Aniline, 3,4-(methylenedioxy)-
5-Amino-1,3-benzodioxole
1-Amino-3,4-(methylenedioxy)benzene
3,4-(Methylenedioxy)-1-aminobenzene
4-Amino-1,2-(methylenedioxy)benzene
3,4-(Methylenedioxy)aniline
1,2-(Methylenedioxy)-4-aminobenzene
(Benzo[1,3]dioxol-5-yl)amine
3,4-Methylendioxyaniline
(Benzodioxol-5-yl)amine
1,3-Benzodioxolan-6-amine
NSC 155176
3,4-Methylenedioxybenzeneamine
Benzo[d][1,3]dioxol-5-amine
Benzo[d][1,3]dioxol-5-ylamine
1,3-Dioxaindan-5-amine
2H-1,3-Benzodioxol-5-amine

Work with Benzodioxol-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

1,4-Benzodioxan-6-amine22013-33-875 % similar 3,4-Diethoxyaniline39052-12-567 % similar 4'-Aminobenzo-15-crown-5-ether60835-71-467 % similar 4-Aminobenzo-15-crown-5 hydrochloride111076-66-560 % similar Benzo-1,3-dioxole-5-methylamine2620-50-052 % similar 5-Bromo-1,3-benzodioxole2635-13-450 % similar 2,3-Dihydro-1-benzofuran-5-amine42933-43-750 % similar Sesamol533-31-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Anthranilic acid118-92-3 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 5-Methoxypicolinaldehyde22187-96-8 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 6-Methylpyridine-3-carboxylic acid3222-47-7

Elsewhere

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