1,6-naphthyridin-5(6H)-one

HCID 5520368

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Grundinformationen

CAS: 23616-31-1
Standard-SMILES: O=c1[nH]ccc2ncccc12
InChIKey: WTYLPQUOPMMOQW-UHFFFAOYSA-N
Summenformel: C8H6N2O
Durchschnittliche Molmasse: 146,15 g/mol
Monoisotopische Masse: 146,04801282

Namen und Bezeichner

Bevorzugter Name: 1,6-naphthyridin-5(6H)-one
IUPAC: 6H-1,6-naphthyridin-5-one
Englischer Name: 1,6-Naphthyridin-5(6H)-one
Summenformel: C8H6N2O
Molmasse: 146.15

Namen und Synonyme

1,6-naphthyridin-5(6H)-one23616-31-11,6-NAPHTHYRIDIN-5-OL6H-1,6-naphthyridin-5-one1,6-Naphthyridin-5-oneMFCD085679475-Hydroxy-1,6-naphthyridineDTXSID40420602AKOS006335113DS-11748EN300-885151,6-Naphthyridine-5(6H)-one

Weitere Namen anzeigen

1,6-Naphthyridin-5(6H)5,6-dihydro-1,6-naphthyridin-5-one

AMY23510BCP28538MFCD04113798FT-0684465A816804[1,6] Naphthyridin-5-ol6H-[1,6]NAPHTHYSCHEMBL276213

Datenbank-Bezeichner

CAS: 23616-31-1
PubChem CID: 5520368
DTXSID: DTXSID40420602
ChEMBL: CHEMBL5220910
EC Number: 672-894-6
Nikkaji: J1.837.116B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 42 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 200

Physikochemische Eigenschaften

Schmelzpunkt: 239 · 239-241°C
Siedepunkt: 425.6 · 425.6±45.0 °C(Predicted)
Dichte: 1.267 · 1.267±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.18 · 11.18±0.20(Predicted)
InChI: InChI=1S/C8H6N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-5H,(H,10,11)
InChIKey: WTYLPQUOPMMOQW-UHFFFAOYSA-N
SMILES: N1C2=C(C(=O)NC=C2)C=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.