3-Diethylaminopropan-1-ol

3-(Diethylamino)-1-propanol

HCID 12159CAS 622-93-5

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Grundinformationen

Standard-SMILES: CCN(CC)CCCO
InChIKey: WKCYFSZDBICRKL-UHFFFAOYSA-N
Summenformel: C7H17NO
Durchschnittliche Molmasse: 131,22 g/mol
Monoisotopische Masse: 131,13101417

Namen und Bezeichner

Bevorzugter Name: 3-(Diethylamino)-1-propanol
IUPAC: 3-(diethylamino)propan-1-ol
Lokaler Name: 3-Diethylaminopropan-1-ol
Englischer Name: 3-DIETHYLAMINO-1-PROPANOL
Summenformel: C7H17NO
Molmasse: 131.22

Namen und Synonyme

622-93-53-(Diethylamino)-1-propanol1-PROPANOL, 3-(DIETHYLAMINO)-Diethylpropanolamine3-(Diethylamino)propyl alcohol3-(Diethylamino)propanolN,N-Diethyl-3-hydroxypropylamine3-Diethylaminopropan-1-olgamma-DiaethylaminopropanolNSC 8697EINECS 210-759-1gamma-Diaethylaminopropanol [German]

Weitere Namen anzeigen

3-DIETHYLAMINO-1-PROPANOL3-diethylamine-1-propanol3-diethylamino-propan-1-ol3-(diethylamino)-1-propano3-Diethylamino-1-Propanol97%3-Diethylamino-1-propanol,95%

BRN 1734168U57YOW5553.gamma.-Diaethylaminopropanol3-(N,N-diethylamino)-1-propanolNSC-86974-04-00-01633 (Beilstein Handbook Reference)n-(3-hydroxypropyl)diethylamineDTXSID1060762

Datenbank-Bezeichner

CAS: 622-93-5
PubChem CID: 12159
DTXSID: DTXSID1060762
UNII: U57YOW5553
EC Number: 210-759-1
Nikkaji: J79.759F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 52

Physikochemische Eigenschaften

Schmelzpunkt: -12.63 °C · -12.63°C (estimate)
Siedepunkt: 81 · 81-83 °C/15 mmHg (lit.)
Dichte: 0.884 g/mL · 0.884 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4435(lit.)
Flammpunkt: 150 °F · 150 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 15.02 · 15.02±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
InChI: 1S/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3
InChIKey: WKCYFSZDBICRKL-UHFFFAOYSA-N
SMILES: CCN(CC)CCCO
EPA chemische Informationen: 1 · 1-Propanol, 3-(diethylamino)- (622-93-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 42 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.