1,2,3,4-Tetrahydro-1,5-naphthyridine

HCID 6917495

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Grundinformationen

CAS: 13993-61-8
Standard-SMILES: c1cnc2c(c1)NCCC2
InChIKey: OALXTMWCXNPUKJ-UHFFFAOYSA-N
Summenformel: C8H10N2
Durchschnittliche Molmasse: 134,18 g/mol
Monoisotopische Masse: 134,08439833

Namen und Bezeichner

Bevorzugter Name: 1,2,3,4-Tetrahydro-1,5-naphthyridine
IUPAC: 1,2,3,4-tetrahydro-1,5-naphthyridine
Englischer Name: 1,2,3,4-Tetrahydro-1,5-naphthyridine
Summenformel: C8H10N2
Molmasse: 134.18

Namen und Synonyme

1,2,3,4-tetrahydro-1,5-naphthyridine13993-61-8DTXSID60426060RefChem:214426DTXCID60376894826-595-41,2,3,4-tetrahydro-[1,5]naphthyridineMFCD08444439CMLDBU000035831,5-NAPHTHYRIDINE, 1,2,3,4-TETRAHYDRO-A1AJRtetrahydro 1,5-naphthyridine

Weitere Namen anzeigen

EOS-621351,2,3,4-TETRAHYDRO-1,5-NAPHTHY1,2,3,4-Tetrahydro-1,5phthyridine

SCHEMBL220828SCHEMBL307955SCHEMBL626768SCHEMBL3197948SCHEMBL29620683OALXTMWCXNPUKJ-UHFFFAOYSA-NNAA99361AKOS009101721

Datenbank-Bezeichner

CAS: 13993-61-8
PubChem CID: 6917495
DTXSID: DTXSID60426060
EC Number: 826-595-4
Nikkaji: J893.345F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 24,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 107 · 107-109 °C
Siedepunkt: 265.3 · 265.3±9.0 °C(Predicted)
Dichte: 1.068 · 1.068±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 7.24 · 7.24±0.20(Predicted)
Aggregatzustand: solid
Farbe: Pale yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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, 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 3 reports by companies from 3 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.