1,4-Diamino-9,10-dihydro-9,10-dioxoanthracen-2-sulfonsure

1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

HCID 77725CAS 4095-85-6

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Grundinformationen

Standard-SMILES: Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O
InChIKey: DZXNARMBWJFBGD-UHFFFAOYSA-N
Summenformel: C14H10N2O5S
Durchschnittliche Molmasse: 318,31 g/mol
Monoisotopische Masse: 318,03104242

Namen und Bezeichner

Bevorzugter Name: 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
IUPAC: 1,4-diamino-9,10-dioxoanthracene-2-sulfonic acid
Lokaler Name: 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracen-2-sulfonsure
Englischer Name: 1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
Summenformel: C14H10N2O5S
Molmasse: 318.3046

Namen und Synonyme

4095-85-61,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidEINECS 223-846-4DTXSID201939481,4-Diamino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acidRefChem:416656DTXCID60116439223-846-41,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid1,4-diaminoanthraquinone-2-sulfonic acidCDS1_000266Maybridge1_002554

Weitere Namen anzeigen

1 ,4-diaminoanthraquinone-2-sulfonc acid1,4-diamino-9,10-dioxoanthracene-2-sulfonicaci1,4-diamino-9,10-dioxoanthracene-2-sulfonic acid1,4-diamino-9,10-diketo-anthracene-2-sulfonic acid1,4-bis(azanyl)-9,10-dioxo-anthracene-2-sulfonic acid1,4-diamino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid

32GAA24YNWDivK1c_001306SCHEMBL3363864SCHEMBL29506785HMS548M021,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1,4-Diamino-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid2-Anthracenesulfonic acid, 1,4-diamino-9,10-dihydro-9,10-dioxo-

Datenbank-Bezeichner

CAS: 4095-85-6
PubChem CID: 77725
DTXSID: DTXSID20193948
UNII: 32GAA24YNW
EC Number: 223-846-4
Nikkaji: J32.540F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 149 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 22
Formalladung: 0
Komplexität: 599

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.