1-Aminoanthraquinone

C₁₄H₉NO₂CAS 82-45-1223.23 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₁₄H₉NO₂
Molar mass: 223.23 g/mol
Exact mass: 223.0633 Da
Melting point: 253.5 °C
logP: 2.04Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H312 Harmful in contact with skin18.2% of notifiers
H315 Causes skin irritation63.6% of notifiers
H319 Causes serious eye irritation72.7% of notifiers
H332 Harmful if inhaled18.2% of notifiers
H335 May cause respiratory irritation63.6% of notifiers
H400 Very toxic to aquatic life18.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects18.2% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

82-45-1

SMILES

Nc1cccc2c1C(=O)c1ccccc1C2=O

InChIKey

KHUFHLFHOQVFGB-UHFFFAOYSA-N

InChI

InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2

Weigh it out

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

Names and synonyms

12 names

9,10-Anthracenedione, 1-amino-
Anthraquinone, 1-amino-
1-Amino-9,10-anthracenedione
α-Aminoanthraquinone
α-Anthraquinonylamine
1-Amino-9,10-anthraquinone
Smoke orange G
1-AAQ
NSC 30415
NSC 458
9,10-Dioxo-9,10-dihydro-1-anthracenamine
1-Amino-9,10-dihydroanthracene-9,10-dione

Work with 1-Aminoanthraquinone

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

1,5-Diaminoanthraquinone129-44-288 % similar Disperse violet 1128-95-074 % similar 1-Amino-5-chloroanthraquinone117-11-371 % similar 1,2-Diaminoanthraquinone1758-68-566 % similar 1-Amino-4-hydroxyanthraquinone116-85-859 % similar 1-Amino-4-bromoanthraquinone81-62-959 % similar 1-Chloroanthraquinone82-44-058 % similar N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamide117-06-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminoanthraquinone117-79-3 1-(Naphthalen-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione3369-39-9 N-Phenylphthalimide520-03-6 Acridine-9-carboxylic acid5336-90-3 4'-Cyano[1,1'-biphenyl]-4-carboxylic acid5728-46-1 9-Nitroanthracene602-60-8 1-Phenylisatin723-89-7 3-Phenyl-2,1-benzisoxazole-5-carbaldehyde94752-06-4

Elsewhere

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