N-Hydroxynicotinimidamide

HCID 308113CAS 1594-58-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NC(=NO)c1cccnc1
InChIKey: AQBMQGDKWIPBRF-UHFFFAOYSA-N
Summenformel: C6H7N3O
Durchschnittliche Molmasse: 137,14 g/mol
Monoisotopische Masse: 137,05891186

Namen und Bezeichner

Bevorzugter Name: N-Hydroxynicotinimidamide
IUPAC: N'-hydroxypyridine-3-carboximidamide
Englischer Name: 3-Pyridylamidoxime
Summenformel: C6H7N3O
Molmasse: 137.14

Namen und Synonyme

1594-58-7N-Hydroxynicotinimidamide3-PyridylamidoximeN-hydroxypyridine-3-carboximidamideN'-Hydroxy-3-pyridinecarboximidamideN'-hydroxynicotinimidamideNicotinamidoximeNicotinamide oxime1217433-56-1MFCD00125875N-Hydroxynicotinamidinen-hydroxy-nicotinamidine

Weitere Namen anzeigen

AKOS B030080BUTTPARK 33\04-45RARECHEM BG FB 0128Pyridine-3-amidoxime3-Pyridylamide oximePyridin-3-ylamidoxime3-Pyridylamidoxime 98%

Pyridine-3-carboxamide oxime3-pyridinamidoxime3-PyridinecarboxamidoximeN-hydroxy-nicotinimidamide(E)-N-hydroxynicotinimidamide(Z)-N-hydroxynicotinimidamideSCHEMBL283481SCHEMBL283482

Datenbank-Bezeichner

CAS: 1594-58-7
PubChem CID: 308113
EC Number: 625-116-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 71,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 135

Physikochemische Eigenschaften

Schmelzpunkt: 130 · 130-135 °C (lit.)
Siedepunkt: 278.2 · 278.2±32.0 °C(Predicted)
Dichte: 1.31 · 1.31±0.1 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml; Ethanol: 3 mg/ml; PBS (pH 7.2): 1.5 mg/ml
Aggregatzustand: powder to crystal
pka: 13.22 · 13.22±0.50(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9)
InChIKey: AQBMQGDKWIPBRF-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1C(NO)=N
CAS Datenbank: 1594 · 1594-58-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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.