CAS 86770-67-4 2-(2-(2-(2-Azidoethoxy)ethoxy)ethoxy)ethanol (HCID 4614742)

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Basic information

CAS: 86770-67-4
Standard SMILES: [N-]=[N+]=NCCOCCOCCOCCO
InChIKey: MBQYGQMGPFNSAP-UHFFFAOYSA-N
Molecular formula: C8H17N3O4
Average molar mass: 219.24 g/mol
Monoisotopic mass: 219.12190602

Names & identifiers

Preferred name: 2-(2-(2-(2-Azidoethoxy)ethoxy)ethoxy)ethanol
IUPAC: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanol
English name: 1-Azido-3,6,9-trioxaundecane-11-ol
Molecular formula: C8H17N3O4
Molecular weight: 219.24

Names & synonyms

86770-67-42-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanol2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethanolDTXSID804049062-{2-[2-(2-AZIDOETHOXY)ETHOXY]ETHOXY}ETHANOLRefChem:1060785DTXCID60355760Azido-PEG4-alcohol1-AZIDO-3,6,9-TRIOXAUNDECANE-11-OLN3-PEG4-OH11-AZIDO-3,6,9-TRIOXAUNDECANOLPEG4-Azide

Show more names

Azido-PEG4azido-PEG4-OHAzido-PEG4-olAZIDO-PEG4-HYDROXYAzido-dPEG4-alcohol

Ethanol,2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethan-1-olMFCD037011282-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethan-1-ol4-AlcoholAzide-PEG4-OHEthanol, 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-orb1989501

Database identifiers

CAS: 86770-67-4
PubChem CID: 4614742
DTXSID: DTXSID80404906
Nikkaji: J1.274.254A

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 62.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 15
Formal charge: 0
Complexity: 173

Physicochemical properties

refractive index: 1.464 to · 1.4640 to 1.4680
storage temp.: Refrigerator
solubility: Chloroform (Sparingly)
form: Oil
color: Colourless to Pale Yellow
Appearance: colorless to yellow oil
Water Solubility: 100 mg/mL · Water: ≥ 100 mg/mL (456.12 mM)
InChI: InChI=1S/C8H17N3O4/c9-11-10-1-3-13-5-7-15-8-6-14-4-2-12/h12H,1-8H2
InChIKey: MBQYGQMGPFNSAP-UHFFFAOYSA-N
SMILES: C(OCCOCCO)COCCN=[N+]=[N-]
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Hazard Codes: F,Xi

Safety & regulation

Safety data

hs_code: 2918999090
risk_code: 11-38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: F,Xi
safety_code: 16
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Applications · 2 items

DescriptionAzido-PEG4-alcohol is a aqueous soluble PEG reagent containing an azide group and a terminal hydroxyl group. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The hydroxyl group enables further derivatization or replacement with other reactive functional groups.

Uses1-Azido-3,6,9-trioxaundecane-11-ol is used as a cross linking and spacer reagent.