1-Amino-11-azido-3,6,9-trioxaundecane

HCID 2735280

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Grundinformationen

CAS: 134179-38-7
Standard-SMILES: [N-]=[N+]=NCCOCCOCCOCCN
InChIKey: FPVCVHVTMPCZTH-UHFFFAOYSA-N
Summenformel: C8H18N4O3
Durchschnittliche Molmasse: 218,25 g/mol
Monoisotopische Masse: 218,13789044

Namen und Bezeichner

Bevorzugter Name: 1-Amino-11-azido-3,6,9-trioxaundecane
IUPAC: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine
Englischer Name: 11-Azido-3 6 9-trioxaundecan-1-amine
Summenformel: C8H18N4O3
Molmasse: 218.25

Namen und Synonyme

134179-38-71-Amino-11-azido-3,6,9-trioxaundecaneDTXSID60370655RefChem:227480DTXCID80321689629-285-5Azido-PEG3-AmineAmino-PEG3-C2-Azido11-Azido-3,6,9-trioxaundecan-1-amine1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethaneN3-PEG3-CH2CH2NH22-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine

Weitere Namen anzeigen

N3-PEG3-NH2Amino-PEG3-azideAmino-PEG4-Azide93.0%(GC&H2N-PEG(3)-N3Azido-PEG3-NH2

MFCD0026987411-AZIDO-3 6 9-TRIOXAUNDECAN-1-AMINEEthanamine, 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-11-AZIDO-3,6,9-TRIOXAUNDECYLAMINEC8H18N4O32-(2-(2-(2-AZIDOETHOXY)ETHOXY)ETHOXY)ETHANAMINE2-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}ethanamine2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethan-1-amine

Datenbank-Bezeichner

CAS: 134179-38-7
PubChem CID: 2735280
DTXSID: DTXSID60370655
UNII: RN75JU5PFC
EC Number: 629-285-5
Nikkaji: J401.961J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 68,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 11
Schwere Atome: 15
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Siedepunkt: 198 · 198-202°C
Dichte: 1.1 g/mL · 1.10 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.470
storage temp.: Amber Vial, Refrigerator, Under Inert Atmosphere
Löslichkeit: miscible with water, polar organic solvents
Aggregatzustand: Viscous Liquid
pka: 8.74 · 8.740±0.10(predicted)
Farbe: Yellow to Pale Brown
BRN: 4745506 · 4745506
Stabilität: Light Sensitive
InChI: InChI=1S/C8H18N4O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-9H2
InChIKey: FPVCVHVTMPCZTH-UHFFFAOYSA-N
SMILES: C(OCCOCCN)COCCN=[N+]=[N-]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

Sicherheitsdaten

F: 10-34
wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 29299090
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenA PEG derivative, which contains a free amine that can be conjugated to biological molecules directly by an amide linkage (or via the corresponding isothiocyanate) and an azide that can be reduced to an amine for conjugation to other molecules. PEG derivatives are water soluble. Bifunctional water soluble compounds with flexible dimensions allow for conjugation of small molecules to proteins or molecular probes. 1-amino-11-azido-3,6,9-trioxaundecane can be reacted with small organic molecules for the synthesis of heterobifunctional compounds. It has been used to synthesize a mannose-fluorescein conjugate for the study of cell-surface mannose-specific lectins.