Oxan-3-amine

HCID 5200320

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Grundinformationen

CAS: 120811-32-7
Standard-SMILES: NC1CCCOC1
InChIKey: WUUOEJJGRCQGBQ-UHFFFAOYSA-N
Summenformel: C5H11NO
Durchschnittliche Molmasse: 101,15 g/mol
Monoisotopische Masse: 101,08406397

Namen und Bezeichner

Bevorzugter Name: Oxan-3-amine
IUPAC: oxan-3-amine
Englischer Name: 2H-Pyran-3-amine, tetrahydro-
Summenformel: C5H11NO
Molmasse: 101.15

Namen und Synonyme

oxan-3-amineRefChem:857047675-842-0tetrahydro-2H-pyran-3-amine120811-32-7Tetrahydro-pyran-3-ylamineTetrahydropyran-3-ylamine2H-PYRAN-3-AMINE, TETRAHYDRO-tetrahydropyran-3-amineMFCD07371531Tetrahydro-2H-pyran-3-amine HClALBB-005268

Weitere Namen anzeigen

CBI-BB ZERO/0048092H-PYRAN-3-AE,TETRAHYDRO-Tetrahydro-2H-pyran-3-amine hydrochloridetetrahydro-2H-pyran-3-amine(SALTDATA: HCl)

3-aminotetrahydropyran2H-3,4,5,6-tetrahydropyran-3-ylamine3-Aminotetrahydropyran HCl2H-Pyran-3-amine,tetrahydro-(S)-3-Aminotetrahydropyran3-Amino-1H-tetrahydropyrantetrahydro-pyran-3-yl amineSCHEMBL57654

Datenbank-Bezeichner

CAS: 120811-32-7
PubChem CID: 5200320
DTXSID: DTXSID70409440
EC Number: 675-842-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Physikochemische Eigenschaften

Siedepunkt: 151.4 · 151.4±33.0 °C(Predicted)
Dichte: 0.962 · 0.962±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
Aggregatzustand: liquid
pka: 9.97 · 9.97±0.20(Predicted)
Farbe: Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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.