N,N-Dimethylhexylamin

N,N-Dimethylhexylamine

HCID 78090CAS 4385-04-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCCCCCN(C)C
InChIKey: QMHNQZGXPNCMCO-UHFFFAOYSA-N
Summenformel: C8H19N
Durchschnittliche Molmasse: 129,24 g/mol
Monoisotopische Masse: 129,15174961

Namen und Bezeichner

Bevorzugter Name: N,N-Dimethylhexylamine
IUPAC: N,N-dimethylhexan-1-amine
Lokaler Name: N,N-Dimethylhexylamin
Englischer Name: N,N-DIMETHYLHEXYLAMINE
Summenformel: C8H19N
Molmasse: 129.24

Namen und Synonyme

N,N-DimethylhexylamineN,N-dimethylhexan-1-amine4385-04-01-DimethylaminohexaneN,N-Dimethyl-n-hexylamineN,N-Dimethyl-1-hexanamineHexanamine, N,N-dimethylB3C6KTC8LE1-(DIMETHYLAMINO)HEXANEEINECS 224-491-8DTXSID70195957RefChem:161303

Weitere Namen anzeigen

N,N-DiMethylhexylaMine 98%N,N-Dimethylhexylamine,99%

DTXCID10118448224-491-8InChI=1/C8H19N/c1-4-5-6-7-8-9(2)3/h4-8H2,1-3HQMHNQZGXPNCMCO-UHFFFAOYSA-N1-Hexanamine, N,N-dimethyl-hexyldimethylamineMFCD00009522N-(n-Hexyl)dimethylamine

Datenbank-Bezeichner

CAS: 4385-04-0
PubChem CID: 78090
DTXSID: DTXSID70195957
UNII: B3C6KTC8LE
EC Number: 224-491-8
Nikkaji: J205.760C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 50,5

Physikochemische Eigenschaften

Schmelzpunkt: -76.53 °C · -76.53°C (estimate)
Siedepunkt: 146 · 146-150 °C (lit.)
Dichte: 0.744 g/mL · 0.744 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.414(lit.)
Flammpunkt: 92 °F · 92 °F
storage temp.: Flammables area
Löslichkeit: Miscible with methanol.
Aggregatzustand: Liquid
pka: 9.99 · 9.99±0.28(Predicted)
Wichte: 0.744 · 0.744
Farbe: Clear colorless
BRN: 1732757 · 1732757
Henry's Law Constant: 3.4 · 3.4×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Stabilität: Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.
InChI: 1S/C8H19N/c1-4-5-6-7-8-9(2)3/h4-8H2,1-3H3
InChIKey: QMHNQZGXPNCMCO-UHFFFAOYSA-N
SMILES: CCCCCCN(C)C
CAS Datenbank: 4385 · 4385-04-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 9
wgk: 3
ridadr: UN 2733 3/PG 3
hs_code: 29211999
risk_code: 10-34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN,N-Dimethylhexylamine is used as an ion-pairing agent to study the poor retention of uridine diphosphate-linked intermediates on reverse phase media. It is also used in the determination of five monophosphate nucleotides in baby foods. It acts as an additive and encapsulated into the nanoparticle with salinomycin (sali), which has selective toxicity to cancer stem cells.