chempirical

5-[(2-Hydroxyethyl)amino]-1,3-benzodioxol

C9H11NO3CAS 81329-90-0181.19 g/mol

Open in Covalent MOL file
HOHNOO
AcetalAlcoholEtherSecondary amine

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
Melting point
53–54 °C
logP
0.82Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
81329-90-0
SMILES
OCCNc1ccc2c(c1)OCO2
InChIKey
BQHMISUMCDYQTR-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3/c11-4-3-10-7-1-2-8-9(5-7)13-6-12-8/h1-2,5,10-11H,3-4,6H2

Weigh it out

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

Names and synonyms

6 names
  • Ethanol, 2-(1,3-benzodioxol-5-ylamino)-
  • 2-(1,3-Benzodioxol-5-ylamino)ethanol
  • 4-(2-Hydroxyethylamino)-1,2-methylenedioxybenzene
  • 4-(2′-Hydroxyethyl)amino-1,2-methylenedioxybenzene
  • 1-(2-Hydroxyethylamino)-3,4-methylenedioxybenzene
  • 2-[(2H-1,3-Benzodioxol-5-yl)amino]ethan-1-ol

Work with 5-[(2-Hydroxyethyl)amino]-1,3-benzodioxol

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

N-Ethyl-1,3-benzodioxol-5-amine32953-14-359 % similar N-(2-Hydroxyethyl)aniline122-98-547 % similar 5-[(2-Hydroxyethyl)amino]-2-methylphenol55302-96-046 % similar Piperonyl alcohol495-76-146 % similar 2-Amino-4-[(2-hydroxyethyl)amino]anisole sulfate83763-48-845 % similar Sesamol533-31-344 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-041 % similar 1,3-Benzodioxole-5-carbonitrile4421-09-441 % similar

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

Same formula

(2R,3S)-3-Phenylisoserine136561-53-0 2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 3-amino-4-methoxybenzoate24812-90-6 Methyl 4-amino-2-methoxybenzoate27492-84-8

Elsewhere

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