4'-Aminobenzo-15-crown-5-ether

C₁₄H₂₁NO₅CAS 60835-71-4283.32 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₄H₂₁NO₅
Molar mass: 283.32 g/mol
Exact mass: 283.1420 Da
logP: 1.09Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 0

Hazards

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

Identifiers

CAS number

60835-71-4

SMILES

C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1

InChIKey

CQNGAZMLFIMLQN-UHFFFAOYSA-N

InChI

InChI=1S/C14H21NO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10,15H2

Weigh it out

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Names and synonyms

1 names

4'-Aminobenzo-15-crown 5-Ether

Work with 4'-Aminobenzo-15-crown-5-ether

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Aminobenzo-15-crown-5 hydrochloride111076-66-5Salt

Similar compounds

1,4-Benzodioxan-6-amine22013-33-888 % similar Benzodioxol-5-amine14268-66-767 % similar 3,4-Diethoxyaniline39052-12-566 % similar 2,3-Dihydro-1-benzofuran-5-amine42933-43-755 % similar 1,3-Bis(2,4-diaminophenoxy)propane81892-72-053 % similar Benzo-18-crown-614098-24-952 % similar Benzo-15-crown-514098-44-352 % similar Benzo-12-crown-414174-08-452 % similar

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

Same formula

n-(2,2-Dimethoxyethyl)-2-(3,4-dimethoxyphenyl)acetamide73954-34-4

Elsewhere

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