1,5-Diamino-3-oxapentane

Product Information

Molecular Formula:
C4H12N2O
Molecular Weight:
104.1509
Description
2,2-Oxybis(ethylamine) is a polyethylene glycol (PEG)-based PROTAC linker. 2,2-Oxybis(ethylamine) can be used in the synthesis of a series of PROTACs.
Synonyms
2,2'-oxybis-ethanamin; 2,2'-OXYBIS(ETHYLAMINE); 2,2'-OXYDIETHYLAMINE; 2,2'-DIAMINODIETHYL ETHER; 1,5-DIAMINO-3-OXAPENTANE; BIS(2-AMINOETHYL) ETHER; 1,5-DIAMINO-3-OXAPENTANE 98%; 2,2'-Oxybis(ethanamine)
IUPAC Name
2-(2-aminoethoxy)ethanamine
Canonical SMILES
C(COCCN)N
InChI
InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2
InChI Key
GXVUZYLYWKWJIM-UHFFFAOYSA-N
Boiling Point
64 °C/4 mmHg
Flash Point
75 °C
Purity
98%
Density
0.961 g/cm3
Appearance
Colorless to Almost colorless clear liquid
Storage
4°C, protect from light; In solvent, -80°C, 6 months; -20°C, 1 month (protect from light)

Safety Information

Hazards
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
-1.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
104.094963011 g/mol
Monoisotopic Mass
104.094963011 g/mol
Topological Polar Surface Area
61.3Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
28.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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