N,N-Diethylbutan-1,4-diamin

N,N-Diethyl-1,4-butanediamine

HCID 117976CAS 27431-62-5

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Grundinformationen

Standard-SMILES: CCN(CC)CCCCN
InChIKey: JILXUIANNUALRZ-UHFFFAOYSA-N
Summenformel: C8H20N2
Durchschnittliche Molmasse: 144,26 g/mol
Monoisotopische Masse: 144,16264864

Überblick

regulates polyamine biosynthesis & inhibits L1210 leukemia cell growth; structure given in first source

Namen und Bezeichner

Bevorzugter Name: N,N-Diethyl-1,4-butanediamine
IUPAC: N',N'-diethylbutane-1,4-diamine
Lokaler Name: N,N-Diethylbutan-1,4-diamin
Englischer Name: 4-(Diethylamino)butylamine
Summenformel: C8H20N2
Molmasse: 144.26

Namen und Synonyme

27431-62-5N,N-Diethylbutane-1,4-diamineN,N-diethyl-1,4-butanediamineN(1),N(4)-Diethylputrescine8LT9SA85Z9N(1),N(4)-bis(ethyl)putrescineDTXSID30181851RefChem:8213371,4-BEPDTXCID70104342248-456-1(4-aminobutyl)diethylamine

Weitere Namen anzeigen

TIMTEC-BB SBB008614RARECHEM AL BW 11354-(Diethylamino)butylamine ,97%

N1,N1-Diethylbutane-1,4-diamine4-(DIETHYLAMINO)BUTYLAMINE4-DiethylaminobutylamineMFCD00014836N',N'-diethylbutane-1,4-diamineN1,N1-Diethyl-1,4-butanediamine1,4-BUTANEDIAMINE, N1,N1-DIETHYL-4-(diethylamino)butyl amine

Datenbank-Bezeichner

CAS: 27431-62-5
PubChem CID: 117976
DTXSID: DTXSID30181851
UNII: 8LT9SA85Z9
EC Number: 248-456-1
Nikkaji: J250.508H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 10
Formalladung: 0
Komplexität: 60,3

Physikochemische Eigenschaften

Schmelzpunkt: 156 · 156-158 °C
Siedepunkt: 55 °C/ · 55°C/ 3mm
Dichte: 0.83 · 0.83
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
pka: 10.48 · 10.48±0.25(Predicted)
Wasserlöslichkeit: Slightly soluble in water.
InChI: 1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3
InChIKey: JILXUIANNUALRZ-UHFFFAOYSA-N
SMILES: CCN(CC)CCCCN
CAS Datenbank: 27431 · 27431-62-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 2735
hs_code: 29212900
risk_code: 34-41-37/38-22
hazard_code: C,Xn
safety_code: 26-36/37/39-39
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-(Diethylamino)butylamine has been used on prostatic cancer cells and has been found to reduce the putrescine uptake inhibitory activity.