N-(3-Chlorpropyl)dibutylamin

N-(3-Chloropropyl)dibutylamine

HCID 96084CAS 36421-15-5

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Grundinformationen

Standard-SMILES: CCCCN(CCCC)CCCCl
InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N
Summenformel: C11H24ClN
Durchschnittliche Molmasse: 205,77 g/mol
Monoisotopische Masse: 205,1597275

Namen und Bezeichner

Bevorzugter Name: N-(3-Chloropropyl)dibutylamine
IUPAC: N-butyl-N-(3-chloropropyl)butan-1-amine
Lokaler Name: N-(3-Chlorpropyl)dibutylamin
Englischer Name: N-(3-chloropropyl)dibutylamine
Summenformel: C11H24ClN
Molmasse: 205.77

Namen und Synonyme

N-(3-Chloropropyl)dibutylamineEINECS 253-027-7DTXSID40189949NSC 511332-(n-butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuranRefChem:826496DTXCID50112440253-027-736421-15-5n-butyl-n-(3-chloropropyl)butan-1-amineMFCD131859661-Dibutylamino-3-chloropropane

Weitere Namen anzeigen

N-(3-ChLDronedarone Intermediate 2Dronedarone Intermediate 4Dronedarone hydrochloride SM2

(3-Chloropropyl)dibutylamine5ZLC4BY7K51-chloro-3-dibutylaminopropaneNSC-51133dibutyl(3-chloropropyl)amine1-Butanamine, N-butyl-N-(3-chloropropyl)-N-Butyl-N-(3-chloropropyl)-1-butanamineNSC51133

Datenbank-Bezeichner

CAS: 36421-15-5
PubChem CID: 96084
DTXSID: DTXSID40189949
UNII: 5ZLC4BY7K5
EC Number: 253-027-7
Nikkaji: J332.289K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 9
Schwere Atome: 13
Formalladung: 0
Komplexität: 88

Physikochemische Eigenschaften

Siedepunkt: 118 · 118-130 °C(Press: 25 Torr)
Dichte: 0.899 · 0.899±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.39 · 9.39±0.50(Predicted)
Aggregatzustand: liquid
Farbe: Pale yellow
InChI: InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N
SMILES: C(N(CCCC)CCCCl)CCC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H371 (20%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 3 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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.