4,7,10-Trioxa-1,13-tridecanediamine
Product Information
Molecular Formula
C10H24N2O3
Molecular Weight
220.31
Description
4,7,10-Trioxa-1,13-tridecanediamine is a polyethylene glycol (PEG)-based PROTAC linker. 4,7,10-Trioxa-1,13-tridecanediamine can be used in the synthesis of a series of PROTACs.
Synonyms
Bis[2-(3-aminopropoxy)ethyl] Ether; Diethylene glycol bis(3-aminopropyl) ether; DCA 221; 1,13-diamino-4,7,10-trioxatridecane; Bis-NH2-C1-PEG3
IUPAC Name
3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine
SMILES
C(CN)COCCOCCOCCCN
InChI
InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2
InChI Key
JCEZOHLWDIONSP-UHFFFAOYSA-N
Boiling Point
310.6°C at 760 mmHg
Melting Point
-32°C
Flash Point
166 °C
Purity
95%
Density
1.005 g/mL
Appearance
clear colorless to light yellow liquid
Application
Used to make polycondensation products, polyaddition products, copolymers, textile, leather, and paper auxiliaries, emulsifying agents, and corrosion inhibitors; Also used as a hardener and cross-linking agent for epoxy resins and in industrial adhesives.
Storage
4°C, protect from light; In solvent, -80°C, 6 months; -20°C, 1 month (protect from light)
Refractive Index
n20/D 1.464 (lit.)
Safety Information
Hazards
H314:
Causes severe skin burns and eye damage.
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.
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
-1.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
12
Exact Mass
220.17869263 g/mol
Monoisotopic Mass
220.17869263 g/mol
Topological Polar Surface Area
79.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
103
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113817160-A | Preparation method of carbon dioxide-based polyhydroxycarbamate-urea | 2021-09-18 |
| CN-113684469-A | Organic protective coating for electronic device and preparation method thereof | 2021-08-06 |
| CN-113444402-A | Color paste containing nano pigment and preparation method and application thereof | 2021-06-22 |
| CN-113122073-A | Ultramicro coating pigment dispersion liquid, preparation method thereof and inkjet ink | 2021-04-19 |
| CN-113201267-A | Light flame-retardant abradable seal coating material | 2021-04-12 |
| CN-112979924-A | Low-molecular-weight polyamide curing agent, and preparation method and application thereof | 2021-03-12 |
| CN-112940669-A | Fluorescent polyamide hot melt adhesive and preparation method thereof | 2021-02-04 |
| CN-112452336-A | Catalyst for synthesizing acrolein by propylene oxidation and preparation method thereof | 2020-11-10 |
| CN-112457190-A | Dimer acid modified polyether polyamine compound, preparation method and application thereof | 2020-10-27 |
| CN-113174231-A | Polyimide resin composition, adhesive composition, and related articles | 2020-10-15 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20799032 | 2011-01-01 | Development of new folate-based PET radiotracers: preclinical evaluation of ⁶⁸Ga-DOTA-folate conjugates | European journal of nuclear medicine and molecular imaging |
| 19140161 | 2009-01-01 | New biotin derivatives for labeling and solubilizing IgG peptides | Biopolymers |
| 16208680 | 2005-10-20 | Microspheres made of poly(epsilon-caprolactone)-based amphiphilic copolymers: potential in sustained delivery of proteins | Macromolecular bioscience |
| 12236790 | 2002-09-01 | Trifunctional conjugation reagents. Reagents that contain a biotin and a radiometal chelation moiety for application to extracorporeal affinity adsorption of radiolabeled antibodies | Bioconjugate chemistry |
| 11336310 | 2001-06-01 | Biodegradable microspheres of novel segmented poly(ether-ester-amide)s based on poly(epsilon-caprolactone) for the delivery of bioactive compounds | Biomaterials |
