6-(N-(4-Aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione

C₁₄H₂₀N₄O₂CAS 66612-29-1276.34 g/mol

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Primary amine Tertiary amine

Properties

Molecular formula: C₁₄H₂₀N₄O₂
Molar mass: 276.34 g/mol
Exact mass: 276.1586 Da
logP: 0.78Crippen estimate
Polar surface area: 95.0 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6

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

66612-29-1

SMILES

CCN(CCCCN)C1=CC2=C(C=C1)C(=O)NNC2=O

InChIKey

LEOJISUPFSWNMA-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N4O2/c1-2-18(8-4-3-7-15)10-5-6-11-12(9-10)14(20)17-16-13(11)19/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,19)(H,17,20)

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Names and synonyms

1 names

N-(4-Aminobutyl)-N-ethylisoluminol

Work with 6-(N-(4-Aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione

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

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

Elsewhere

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