N,N-Dibutyltrimethylendiamin

3-(Dibutylamino)propylamine

HCID 1626

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 102-83-0
Standard-SMILES: CCCCN(CCCC)CCCN
InChIKey: KYCGURZGBKFEQB-UHFFFAOYSA-N
Summenformel: C11H26N2
Durchschnittliche Molmasse: 186,34 g/mol
Monoisotopische Masse: 186,20959883

Namen und Bezeichner

Bevorzugter Name: 3-(Dibutylamino)propylamine
IUPAC: N',N'-dibutylpropane-1,3-diamine
Lokaler Name: N,N-Dibutyltrimethylendiamin
Englischer Name: N,N-Dibutyl-1,3-propanediamine
Summenformel: C11H26N2
Molmasse: 186.34

Namen und Synonyme

102-83-03-(Dibutylamino)propylamineN,N-Dibutyl-1,3-propanediamineN,N-Dibutyltrimethylenediamine1,3-Propanediamine, N1,N1-dibutyl-N,N-Dibutylaminopropylamine3-Aminopropyldibutylamine1,3-PROPANEDIAMINE, N,N-DIBUTYL-NSC 6333N,N-Dibutyl-1,3-diaminopropaneEINECS 203-059-2BRN 0635829

Weitere Namen anzeigen

DBAPAN1,N1-Dibutylpropane-1,3-diaMineRARECHEM AL BW 1134DibutylaMino)propylaMinDIBUTYLAMINO PROPYLAMINEDibutylanino 1-Propylaminen,n-dibutyl-3-propanediamine

3-(Dibutylamino)-1-propylamineAI3-254373SFY0J0731NSC-6333NSC-7777DTXSID80592614-04-00-01262 (Beilstein Handbook Reference)N-AMINOPROPYL-N,N-DIBUTYLAMINE

Datenbank-Bezeichner

CAS: 102-83-0
PubChem CID: 1626
DTXSID: DTXSID8059261
ChEMBL: CHEMBL534299
UNII: 3SFY0J0731
EC Number: 203-059-2
Nikkaji: J35.158J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 9
Schwere Atome: 13
Formalladung: 0
Komplexität: 86,1

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -50 °C · -50 °C
Siedepunkt: 205 °C · 205 °C(lit.)
Dichte: 0.827 g/mL · 0.827 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4463(lit.)
Flammpunkt: 219 °F · 219 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 10.17 · 10.17±0.10(Predicted)
Farbe: Colorless to Light yellow
Wasserlöslichkeit: 10 G/L · 10 G/L (20 ºC)
BRN: 635829 · 635829
InChI: 1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
InChIKey: KYCGURZGBKFEQB-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)CCCN
CAS Datenbank: 102 · 102-83-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3-Propanediamine, N,N-dibutyl-(102-83-0)
EPA chemische Informationen: 1 · 1,3-Propanediamine, N,N-dibutyl- (102-83-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

1,3-Propanediamine, N1,N1-dibutyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1,N1-dibutyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1,3-Propanediamine, N,N-dibutyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2922 8/PG 3
hs_code: 2921.29.0055
RTECS-Nr.: TX7175000
risk_code: 34-36/37/38
Toxizität: rabbit,LD50,skin,270uL/kg (0.27mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
hazard_code: C,Xi
safety_code: 26-36/37/39-45-36
hazard_class: 8
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B