1,3-Dioxolan-2-ethylamin

1,3-Dioxolane-2-ethylamine

HCID 79827

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Grundinformationen

CAS: 5754-35-8
Standard-SMILES: NCCC1OCCO1
InChIKey: JNAQYWWCTUEVKR-UHFFFAOYSA-N
Summenformel: C5H11NO2
Durchschnittliche Molmasse: 117,15 g/mol
Monoisotopische Masse: 117,07897859

Namen und Bezeichner

Bevorzugter Name: 1,3-Dioxolane-2-ethylamine
IUPAC: 2-(1,3-dioxolan-2-yl)ethanamine
Lokaler Name: 1,3-Dioxolan-2-ethylamin
Englischer Name: 2-(2-AMINOETHYL)-1,3-DIOXOLANE
Summenformel: C5H11NO2
Molmasse: 117.15

Namen und Synonyme

5754-35-81,3-dioxolane-2-ethanamine1,3-Dioxolane-2-ethylamineEINECS 227-277-2DTXSID70206158RefChem:414905DTXCID70128649227-277-22-(2-Aminoethyl)-1,3-dioxolane2-(1,3-dioxolan-2-yl)ethanamine2-(1,3-dioxolan-2-yl)ethan-1-amineMFCD00142756

Weitere Namen anzeigen

2-(2-aminoethyl)-1,3-dioxypentane2-(2-Aminoethyl)-1,3-dioxolane >2-(2-AMINOETHYL)-13-DIOXOLANE, 97+%

SCHEMBL98162-[1,3]dioxolan-2-yl-ethylamineAKOS006229366BS-22731CS-0205328Aminoethyldioxolane3-Aminopropionaldehyde Cyclic Ethylene AcetalSCHEMBL4170931

Datenbank-Bezeichner

CAS: 5754-35-8
PubChem CID: 79827
DTXSID: DTXSID70206158
EC Number: 227-277-2
Nikkaji: J38.311B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 61

Physikochemische Eigenschaften

Siedepunkt: 75 °C · 75 °C / 18mmHg
Dichte: 1 · 1,07 g/cm3
Brechungsindex: 1.451 · 1.4510-1.4540
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
Löslichkeit: Dichloromethane, Methanol
Aggregatzustand: Oil
pka: 10.33 · 10.33±0.10(Predicted)
Farbe: Yellow
InChI: InChI=1S/C5H11NO2/c6-2-1-5-7-3-4-8-5/h5H,1-4,6H2
InChIKey: JNAQYWWCTUEVKR-UHFFFAOYSA-N
SMILES: O1CCOC1CCN
CAS Datenbank: 5754 · 5754-35-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (66.7%): 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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+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 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (66.7%)；Skin Irrit. 2 (33.3%)；Eye Dam. 1 (66.7%)；STOT SE 3 (66.7%)