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
Canonical 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 ℃ at 760 mmHg
Melting Point
246-250 ℃ (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.
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
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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