chempirical

Benzodioxol-5-amine

C7H7NO2CAS 14268-66-7137.14 g/mol

Open in Covalent MOL file
H2NOO
AcetalEtherPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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 4-Aminobenzo-15-crown-5 hydrochloride111076-66-560 % similar 1,3-Benzodioxole-5-methanamine2620-50-052 % similar 5-Bromo-1,3-benzodioxole2635-13-450 % similar Sesamol533-31-350 % similar 3,4-Dimethoxyaniline6315-89-550 % similar 5-Methyl-1,3-benzodioxole7145-99-550 % similar 5-Chloro-1,3-benzodioxole7228-38-850 % 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 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9 4-Methylnicotinic acid3222-50-2

Elsewhere

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