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Polyethylene Glycol Bis(2-Aminoethyl) Ether

CAS: 24991-53-5 | C6H16N2O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 24991-53-5
Molecular Formula: C6H16N2O2
Molecular Weight: 148.206 g/mol

Names and Synonyms:

Polyethylene Glycol Bis(2-Aminoethyl) Ether
ED 220
ED 410
α,ω-Diaminopolyethylene glycol
PEG diamine
PEO 600
Y 20000
Y 10000
Y 4000
JSJ 73-006
Diamino-terminated polyethylene glycol
O,O′-Bis(2-aminoethyl)octadecaethylene glycol
Diamine-PEG 897
Fluka 06703
Tetradecaethylene glycol diamine
PEG 1000 Diamine
Jeffamine 2001
PEO-Amine 400
PEG 4000DCA
Polyethylene glycol bis(2-aminoethyl) ether
Poly(ethylene oxide)diamine
Poly(oxyethylene)diamine
Polyethylene glycol diamine
Ethanol, 2-amino-, diether with polyethylene glycol
Glycols, polyethylene, bis(2-aminoethyl) ether
Poly(oxy-1,2-ethanediyl), α-(2-aminoethyl)-ω-(2-aminoethoxy)-

Identifiers:

SMILES:
NCCOCCOCCN
InChI:
InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 148.206 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 148.121177752 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 10 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 7 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 70.5 Ų RDKit

Physical Properties

Property Value Source
LogP -1.0629999999999982 RDKit
molecular_mass 148.21 g/mol Legacy Database
cas-canonical-smile O(CCOCCN)CCN None Legacy Database
cas-inchi InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2 None Legacy Database
cas-inchi-key InChIKey=IWBOPFCKHIJFMS-UHFFFAOYSA-N None Legacy Database
cas-name Polyethylene glycol bis(2-aminoethyl) ether None Legacy Database

Molar

Property Value Source
Molar Refractivity 39.74680000000001 RDKit

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