5-Amino-1,3-dihydro-2H-benzimidazol-2-on

5-Amino-2-hydroxybenzimidazole

HCID 66765CAS 95-23-8

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Grundinformationen

Standard-SMILES: Nc1ccc2[nH]c(=O)[nH]c2c1
InChIKey: BCXSVFBDMPSKPT-UHFFFAOYSA-N
Summenformel: C7H7N3O
Durchschnittliche Molmasse: 149,15 g/mol
Monoisotopische Masse: 149,05891186

Namen und Bezeichner

Bevorzugter Name: 5-Amino-2-hydroxybenzimidazole
IUPAC: 5-amino-1,3-dihydrobenzimidazol-2-one
Lokaler Name: 5-Amino-1,3-dihydro-2H-benzimidazol-2-on
Englischer Name: 5-Amino-1,3-dihydro-2H-benzimidazol-2-one
Summenformel: C7H7N3O
Molmasse: 149.15

Namen und Synonyme

95-23-85-Amino-1,3-dihydro-2H-benzimidazol-2-one5-amino-1,3-dihydrobenzimidazol-2-one2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-5-Amino-2-benzimidazolinone5-amino-1H-benzo[d]imidazol-2(3H)-one5-amino-2-hydroxybenzimidazoleEINECS 202-401-83V3FDT3X0MEC 202-401-82-BENZIMIDAZOLINONE, 5-AMINO-DTXSID5059119

Weitere Namen anzeigen

5-AMINOBENZIMIDAZOLONE5(6)-AMINOBENZOIMIDAZOLONE5-AMINO-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE7-AMINO-3,4-DIHYDRO-1H-QUINOXALIN-2-ONEAKOS BBS-000064875-aminobenzimdazolone5-Nitro benzimidazoloneIlaprazole Impurity 1705-AMINOBENZIMIDAZOLINONE5-Aminobenzimidazolone,98%

2-HYDROXY-5-AMINOBENZIMIDAZOLE5-AMINO-2(3H)-BENZIMIDAZOLONE5-AMINO-1H-BENZIMIDAZOL-2(3H)-ONE5-AMINO-1H-BENZO(D)IMIDAZOL-2(3H)-ONE2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-5-AMINE5-AMINO-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOLERefChem:532189DTXCID8048949

Datenbank-Bezeichner

CAS: 95-23-8
PubChem CID: 66765
DTXSID: DTXSID5059119
UNII: 3V3FDT3X0M
EC Number: 202-401-8
Nikkaji: J26.613B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 67,2 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 183

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C
Siedepunkt: 201.4 · 201.4±19.0 °C(Predicted)
Dichte: 1.363 · 1.363±0.06 g/cm3(Predicted)
Dampfdruck: 0.001 Pa · 0.001Pa at 20℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Powder
pka: 11.8 · 11.80±0.30(Predicted)
Farbe: White to Amber to Dark purple
InChI: InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKey: BCXSVFBDMPSKPT-UHFFFAOYSA-N
SMILES: C1(=O)NC2=CC=C(N)C=C2N1
LogP: -0.33 at · -0.33 at 23℃ and pH6.5-7.5
CAS Datenbank: 95 · 95-23-8(CAS DataBase Reference)
EPA chemische Informationen: 2 H-Benzimidazol-2-one, · 2H-Benzimidazol-2-one, 5-amino-1,3-dihydro- (95-23-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H412 (87.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 16 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.