1,3-Diaminopropane dihydrochloride
Product Information
Molecular Formula
C3H12Cl2N2
Molecular Weight
147.05
Description
1,3-Diaminopropane dihydrochloride (CAS# 10517-44-9) is the Chlorinated form of 1,3-Diaminopropane(D416660) is a common chemical reagent, used in the synthesis of 7-methoxytacrine-adamantylamine heterodimers as cholinesterase inhibitors applied in the treatment of Alzheimer's disease. Also used in the synthesis of thrombosis inhibitors.
Synonyms
propane-1,3-diamine;dihydrochloride
IUPAC Name
propane-1,3-diamine;dihydrochloride
SMILES
C(CN)CN.Cl.Cl
InChI
InChI=1S/C3H10N2.2ClH/c4-2-1-3-5;;/h1-5H2;2*1H
InChI Key
HYOCSVGEQMCOGE-UHFFFAOYSA-N
Boiling Point
135.5 °C at 760 mmHg
Melting Point
246-250 °C (lit.)
Purity
95 %
Density
0.867 g/cm3
Appearance
White to off-white powder or crystals
Storage
Store under inert gas
LogP
2.29850
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
146.0377538 g/mol
Monoisotopic Mass
146.0377538 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
12.4
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
3
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021035101-A1 | Molecules that bind to tdp-43 for the treatment of amyotrophic lateral sclerosis and related disorders | 2019-08-22 |
| US-2020131431-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 2018-10-26 |
| CA-3116675-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 2018-10-26 |
| TW-202000946-A | Chemical activation of self-passivating metals | 2018-06-11 |
| US-2019376173-A1 | Chemical activation of self-passivating metals | 2018-06-11 |
| CN-112236540-A | Chemical activation of self-passivating metals | 2018-06-11 |
| KR-20210019435-A | Chemical activation of self-passivating metals | 2018-06-11 |
| JP-2021527163-A | Chemical activation of self-passivating metals | 2018-06-11 |
| US-11193197-B2 | Chemical activation of self-passivating metals | 2018-06-11 |
| US-2022064778-A1 | Chemical activation of self-passivating metals | 2018-06-11 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 30234300 | 2018-11-08 | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists | Journal of medicinal chemistry |
| 24891222 | 2014-07-01 | Acetylated 1,3-diaminopropane antagonizes abscisic acid-mediated stomatal closing in Arabidopsis | The Plant journal : for cell and molecular biology |
| 22982321 | 2012-12-01 | Biohydrogels with magnetic nanoparticles as crosslinker: characteristics and potential use for controlled antitumor drug-delivery | Acta biomaterialia |
| 23022611 | 2012-12-01 | Structure, DNA binding and cleavage of a new Zn(II)Mn(II) macrocyclic complex | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 22885931 | 2012-11-01 | New tetradentate Schiff bases of 2,2-dimethyl-1,3-diaminopropane and acetylacetone derivatives and their vanadyl complexes | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 22560766 | 2012-07-01 | Surface-associated motility, a common trait of clinical isolates of Acinetobacter baumannii, depends on 1,3-diaminopropane | International journal of medical microbiology : IJMM |
| 21963170 | 2012-04-15 | Effect of N-doping on the photocatalytic activity of sol-gel TiO2 | Journal of hazardous materials |
| 21067170 | 2010-12-28 | NMR studies of the stability, protonation States, and tautomerism of (13)C- AND (15)N-labeled aldimines of the coenzyme pyridoxal 5'-phosphate in water | Biochemistry |
| 19819332 | 2010-02-01 | Influence of reaction medium during synthesis of Gantrez AN 119 nanoparticles for oral vaccination | European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V |
| 19657052 | 2009-10-01 | The mechanism of opiorphin-induced experimental priapism in rats involves activation of the polyamine synthetic pathway | American journal of physiology. Cell physiology |
