6-Aminouracil

HCID 70120CAS 873-83-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1cc(=O)[nH]c(=O)[nH]1
InChIKey: LNDZXOWGUAIUBG-UHFFFAOYSA-N
Summenformel: C4H5N3O2
Durchschnittliche Molmasse: 127,1 g/mol
Monoisotopische Masse: 127,03817641

Namen und Bezeichner

Bevorzugter Name: 6-Aminouracil
IUPAC: 6-amino-1H-pyrimidine-2,4-dione
Lokaler Name: 6-Aminouracil
Englischer Name: 6-Aminouracil
Summenformel: C4H5N3O2
Molmasse: 127.1

Namen und Synonyme

6-Aminouracil873-83-62,4(1H,3H)-Pyrimidinedione, 6-amino-DTXSID5061241RefChem:540391DTXCID7048580212-854-34-Amino-2,6-dihydroxypyrimidine6-aminopyrimidine-2,4(1H,3H)-dione6-aminopyrimidine-2,4-diol6-Amino-1H-pyrimidine-2,4-dione6-Amino-2,4-pyrimidinediol

Weitere Namen anzeigen

4-AMINOURACIL4-ADHPNSC 7367NSC 15919AKOS 92815AminuracilAminouracil

6-Amino-2,4-dihydroxypyrimidine143505-00-4Cytosine, 6-hydroxy-Uracil, 6-amino-143519-01-14-Amino-2,6-pyrimidinediol4-Amino-2,6-dioxypyrimidineMFCD00006071

Datenbank-Bezeichner

CAS: 873-83-6
PubChem CID: 70120
DTXSID: DTXSID5061241
ChEMBL: CHEMBL86636
ChEBI: CHEBI:184013
EC Number: 212-854-3
Nikkaji: J3.344H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,6
Polarare Oberfläche (TPSA): 84,2 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 196

Physikochemische Eigenschaften

Schmelzpunkt: 360 °C · ≥360 °C(lit.)
Siedepunkt: 235.85 °C · 235.85°C (rough estimate)
Dichte: 1.4748 · 1.4748 (rough estimate)
Brechungsindex: 1.5 · 1.5000 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly, Heated), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: 3.76 · 3.76±0.10(Predicted)
Farbe: Cream to light brown
Wasserlöslichkeit: slightly soluble
BRN: 120491 · 120491
InChI: InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChIKey: LNDZXOWGUAIUBG-UHFFFAOYSA-N
SMILES: C1(=O)NC(N)=CC(=O)N1
CAS Datenbank: 873 · 873-83-6(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,4(1H,3H)-Pyrimidinedione, 6-amino- (873-83-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 9.8% (5 of 51) of reports.

Warning

H302 (90.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 5 of 51 reports by companies.；There are 3 notifications provided by 46 of 51 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.