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

C9H11NO3CAS 81329-90-0181.19 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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Names and synonyms

7 names
  • 5-[(2-Hydroxyethyl)amino]-1,3-benzodioxol
  • 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 (2H-1,3-Benzodioxol-5-yl)boronic acid94839-07-344 % similar Sesamol533-31-344 % similar N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide227199-07-743 % 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 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-4 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 2-amino-5-methoxybenzoate2475-80-1

Elsewhere

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