Dioctadecylamine

HCID 66989CAS 112-99-2

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N
Summenformel: C36H75N
Durchschnittliche Molmasse: 522 g/mol
Monoisotopische Masse: 521,5899514

Namen und Bezeichner

Bevorzugter Name: Dioctadecylamine
IUPAC: N-octadecyloctadecan-1-amine
Englischer Name: Dioctadecylamine
Summenformel: C36H75N
Molmasse: 521.99

Namen und Synonyme

Dioctadecylamine112-99-2Distearylamine1-Octadecanamine, N-octadecyl-569INV7SP8GENAMIN SH 200ARMEEN 2-18DTXSID8059425RefChem:589652DTXCID4033267204-020-2n-octadecyloctadecan-1-amine

Weitere Namen anzeigen

DODAFENTAMINE SA18AURORA KA-7662Dioctadecylamine(DODA)bisdecaoctalkaneylaminen-octadecyl-1-octadecanaminN-octadecyl-1-Octadecanamine

MFCD00048494DODA, DistearylamineEINECS 204-020-2UNII-569INV7SP8distearyl amineDioctadecyl aminebis-octadecylaminebis(octadecyl)amine

Datenbank-Bezeichner

CAS: 112-99-2
PubChem CID: 66989
DTXSID: DTXSID8059425
UNII: 569INV7SP8
EC Number: 204-020-2
Nikkaji: J193.608E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 17,5
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 34
Schwere Atome: 37
Formalladung: 0
Komplexität: 332

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-73 °C
Siedepunkt: 524.75 °C · 524.75°C (estimate)
Dichte: 0.9086 · 0.9086 (estimate)
Brechungsindex: 1.4841 · 1.4841 (estimate)
Löslichkeit: water: soluble(lit.)
pka: 10.84 · 10.84±0.19(Predicted)
Wasserlöslichkeit: water: soluble(lit.)
BRN: 1801688 · 1801688
InChI: 1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
EPA chemische Informationen: 1 · 1-Octadecanamine, N-octadecyl- (112-99-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Octadecanamine, N-octadecyl-

1-Octadecanamine, N-octadecyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Fatty amines, di(long chain)alkyl: Human health tier II assessment

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (98.3%)

Skin irritation - category 2

Sicherheitsdaten

F: 10-34
wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Octadecanamine, N-octadecyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenDioctadecylamine (DODA) is suitable reagent used in the synthesis of the following:Dioctadecylamine-BCN (bicyclo[6.1.0]nonyne) conjugate.Lipid derivatives of bisethylnorspermine (BSP).Functional VP (N-vinylpyrrolidone ) polymers.It may be used in the following studies:As a reactant in the synthesis of 4,4′-azobis(4-cyano-N,N-dioctadecyl)pentanamide (DODA-501) by reacting with disuccinimidyl 4,4′-azobis(4-cyanovalerate).As a reagent in the synthesis of dioctadecyl heptapeptides.As a phase transfer and stabilizer agent for gold nanoparticles (AuNPs) in non-polar solvent.