1,4-BUTANEDIOL BIS(3-AMINOPROPYL) ETHER

Product Information

Molecular Formula:
C10H24N2O2
Molecular Weight:
204.31
Description
1,4-Butanediol Bis(3-Aminopropyl) Ether is a biomedical product utilized in the development of specific pharmaceutical formulations. It's integral in creating medications used to treat various neurological disorders, due to its ability to affect neuronal transmission.
Synonyms
1,12-Diamino-4,9-dioxadodecane; 1,4-Bis(gamma-aminopropoxy)butane; 1,4-Butanediol bis(gamma-aminopropyl) ether; 1,4-Butanediolbis(.gamma.-aminopropyl)ether; 1-Propanamine, 3,3'-[1,4-butanediylbis(oxy)]bis-; 1-Propanamine,3,3'-[1,4-butanediylbis(oxy)]bis-; 2-([
IUPAC Name
3-[4-(3-aminopropoxy)butoxy]propan-1-amine
Canonical SMILES
C(CCOCCCN)COCCCN
InChI
InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2
InChI Key
YOOSAIJKYCBPFW-UHFFFAOYSA-N
Boiling Point
134-136°C4 mm Hg(lit.)
Melting Point
4.5°C
Flash Point
159 °C
Purity
95%
Density
0.962 g/mL at 25 °C(lit.)
Appearance
CLEAR COLOURLESS LIQUID
Refractive Index
n20/D 1.4609 (lit.)

Safety Information

Hazards
H314:
Causes severe skin burns and eye damage.
H332:
Harmful if inhaled.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
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.

Computed Properties

XLogP3
-0.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
11
Exact Mass
204.183778013 g/mol
Monoisotopic Mass
204.183778013 g/mol
Topological Polar Surface Area
70.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
90.1
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

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WO-2022049071-A1 Transparent electrically conductive epoxy resin coating and electrostatic dissipative floor 2020-09-01
WO-2022041195-A1 Aqueous composition 2020-08-31
US-2022062711-A1 Method of making dual core golf ball using novel center plate button and resulting improved golf ball 2020-08-27
WO-2022043160-A1 Electrically conductive one component (1k) epoxy formulation 2020-08-27
JP-2022035874-A Potting agent for hollow fiber membrane modules 2020-08-21

Literatures

PMID Publication Date Title Journal
20974504 2010-12-01 Synthesis and in vitro biological evaluation of new polyamine conjugates as potential anticancer drugs European journal of medicinal chemistry
18682818 2008-01-01 Complexes of Cu(II) ions and noncovalent interactions in systems with L-aspartic acid and cytidine-5'-monophosphate Bioinorganic chemistry and applications
16899296 2006-11-01 Interactions of 1,12-diamino-4,9-dioxadodecane (OSpm) and Cu(II) ions with pyrimidine and purine nucleotides: adenosine-5'-monophosphate (AMP) and cytidine-5'-monophosphate (CMP) Journal of inorganic biochemistry
12165252 2002-06-01 Constant-time multidimensional electrophoretic NMR Journal of magnetic resonance (San Diego, Calif. : 1997)
11384170 2001-06-01 Convection compensated electrophoretic NMR Journal of magnetic resonance (San Diego, Calif. : 1997)
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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