5,6-Dihydroxyindole

HCID 114683CAS 3131-52-0
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Grundinformationen

Standard-SMILES
Oc1cc2cc[nH]c2cc1O
InChIKey
SGNZYJXNUURYCH-UHFFFAOYSA-N
Summenformel
C8H7NO2
Durchschnittliche Molmasse
149,15 g/mol
Monoisotopische Masse
149,04767847

Namen und Bezeichner

Bevorzugter Name
5,6-Dihydroxyindole
IUPAC
1H-indole-5,6-diol
Englischer Name
5,6-DIHYDROXYINDOLE
Summenformel
C8H7NO2
Molmasse
149.15

Namen und Synonyme

5,6-Dihydroxyindole3131-52-01H-Indole-5,6-diolDopamine lutine3H-INDOLE-5,6-DIOLZ3OC8499KGIMEXINE OAYDTXSID20185242CHEBI:27404RefChem:587786CHEBI:23781DTXCID30107733
Weitere Namen anzeigen
3IDJACS-3131-52-0Indol-5,6-diolINDOLE-5,6-DIOL5,6-DIYDROXYINDOLE5.6-Dihydroxy Indol
412-130-9DihydroxyindoleMFCD00798933dhi5,6-Dihydroxy-1H-indole5,6-dihydroxy indoleCHEMBL92636BDBM50028548

Datenbank-Bezeichner

CAS
3131-52-0
PubChem CID
114683
DTXSID
DTXSID20185242
ChEMBL
CHEMBL92636
ChEBI
CHEBI:27404
UNII
Z3OC8499KG
EC Number
412-130-9
Nikkaji
J434.158I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
56,3 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
140 °C · 140 °C (decomp)
Siedepunkt
411.2 · 411.2±25.0 °C(Predicted)
Dichte
1.51 · 1.510±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit
10 mg/ml; · DMF: 10 mg/ml; DMSO: 3 mg/ml; Ethanol: 10 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Danger

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2544
Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (100%)；Eye Dam. 1 (97.4%)；Aquatic Chronic 2 (97.4%)

Acute toxicity - category 4；Eye damage - category 1；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 4 *；Eye Dam. 1；Aquatic Chronic 2

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2544

Sicherheitsdaten

wgk
WGK 3
hs_code
2933998090
risk_code
22-41-51/53
hazard_code
Xn,N
safety_code
22-26-36/37/39-61
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesDihyroxy-1H-indole has known human metabolites that include Dihyroxy-1H-indole glucuronide I.
MeSH Pharmacological Classification · 2 Einträge

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Compounds and drugs that inhibit or block the activity of CATECHOL O-METHYLTRANSFERASE enzymes. Drugs in this class are used in management of central nervous system disorders such as PARKINSON DISEASE.

Metabolite PathwaysAlkaptonuria；Disulfiram Action Pathway；Dopamine beta-hydroxylase deficiency；Hawkinsinuria；Monoamine oxidase-a deficiency (MAO-A)；Tyrosine metabolism；Tyrosinemia Type I；Tyrosinemia, transient, of the newborn

Verwendung und Herstellung

Use ClassificationCosmetics -> Hair dyeing
Anwendungen · 1 Eintrag

Beschreibung5,6-Dihydroxyindole is a melanin precursor. It is one of the toxic compounds in the melanin biosynthetic pathway. 5,6-Dihydroxyindole is an indole derivative that contains two hydroxyl groups attached to the 5th and 6th positions of the indole ring. It is an intermediate in the biosynthesis of melanin, a pigment responsible for the coloration of hair, skin, and eyes in humans and other organisms.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]

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