1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-2-anthracenecarbonitrile

C₁₇H₁₃N₃O₂CAS 62570-50-7291.31 g/mol

Open in Covalent MOL file

Ketone Nitrile Primary amine Secondary amine

Properties

Molecular formula: C₁₇H₁₃N₃O₂
Molar mass: 291.31 g/mol
Exact mass: 291.1008 Da
logP: 2.35Crippen estimate
Polar surface area: 96.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Identifiers

CAS number

62570-50-7

SMILES

CCNc1cc(C#N)c(N)c2c1C(=O)c1ccccc1C2=O

InChIKey

ATXPWKWYLDEURI-UHFFFAOYSA-N

InChI

InChI=1S/C17H13N3O2/c1-2-20-12-7-9(8-18)15(19)14-13(12)16(21)10-5-3-4-6-11(10)17(14)22/h3-7,20H,2,19H2,1H3

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

Names and synonyms

3 names

2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-
1-Amino-4-(ethylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carbonitrile
Disperse blue 359

Work with 1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-2-anthracenecarbonitrile

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

Elsewhere

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