3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine

HCID 9877599CAS 206989-41-5

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Grundinformationen

Standard-SMILES: NCCCc1ccc2c(n1)NCCC2
InChIKey: BWMYVZPZPGAOPC-UHFFFAOYSA-N
Summenformel: C11H17N3
Durchschnittliche Molmasse: 191,27 g/mol
Monoisotopische Masse: 191,14224754

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
IUPAC: 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
Englischer Name: 5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propylamine
Summenformel: C11H17N3
Molmasse: 191.27

Namen und Synonyme

206989-41-53-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amineRefChem:4934443-(THN)PA676-174-25,6,7,8-Tetrahydro-1,8-naphthyridin-2-propylamine5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPYLAMINE 2HCL1,8-NAPHTHYRIDINE-2-PROPANAMINE, 5,6,7,8-TETRAHYDRO-MFCD041153593-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propylamineSCHEMBL4716711SCHEMBL6896978

Weitere Namen anzeigen

8-Naphthyridin-2-propylaMine3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)-1-propanamine3-(1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propane-1-amine

DTXSID90432179BWMYVZPZPGAOPC-UHFFFAOYSA-NAKOS006343005MB03306SY474447DB-066300CS-0199832EN300-2670940

Datenbank-Bezeichner

CAS: 206989-41-5
PubChem CID: 9877599
DTXSID: DTXSID90432179
EC Number: 676-174-2
Nikkaji: J1.584.042K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 50,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Schmelzpunkt: 66 · 66-68.5 °C
Siedepunkt: 407.2 · 407.2±37.0 °C(Predicted)
Dichte: 1.2 · 1.20±0.1 g/cm3(Predicted)
pka: 10.81 · 10.81±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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.