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
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.
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.
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
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113817160-A | Preparation method of carbon dioxide-based polyhydroxycarbamate-urea | 2021-09-18 |
| KR-102324161-B1 | Water paint composition for preventing carbocation and manufacturing method thereof | 2021-08-18 |
| 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 |
| WO-2022049070-A1 | Electrically conductive epoxy resin coating and electrostatically dissipative floor | 2020-09-01 |
| 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) |
