1,5-Diaminoanthraquinone

C₁₄H₁₀N₂O₂CAS 129-44-2238.25 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₁₄H₁₀N₂O₂
Molar mass: 238.25 g/mol
Exact mass: 238.0742 Da
Melting point: 319 °C
logP: 1.63Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

129-44-2

SMILES

Nc1cccc2c1C(=O)c1cccc(N)c1C2=O

InChIKey

VWBVCOPVKXNMMZ-UHFFFAOYSA-N

InChI

InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2

Weigh it out

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

Names and synonyms

10 names

9,10-Anthracenedione, 1,5-diamino-
Anthraquinone, 1,5-diamino-
1,5-Diamino-9,10-anthracenedione
1,5-Anthraquinonyldiamine
1,5-Diamino-9,10-anthraquinone
NSC 507213
Smoke red F
NSC 63791
NSC 7213
1,5-Diamino-9,10-dihydroanthracene-9,10-dione

Work with 1,5-Diaminoanthraquinone

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

1-Aminoanthraquinone82-45-188 % similar 1-Amino-5-chloroanthraquinone117-11-379 % similar N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamide117-06-658 % similar Disperse blue 12475-45-856 % similar 3-Aminophthalic acid5434-20-855 % similar 1-Amino-4-hydroxyanthraquinone116-85-855 % similar 1-Amino-4-bromoanthraquinone81-62-955 % similar 1,5-Dichloroanthraquinone82-46-254 % similar

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

Same formula

Disperse violet 1128-95-0 2,6-Diaminoanthraquinone131-14-6 1,2-Diaminoanthraquinone1758-68-5 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine18184-75-3 Diphenyl cyanocarbonimidate79463-77-7

Elsewhere

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