1,3-Diaminopropane dihydrochloride - CAS 10517-44-9
Catalog: |
BB001568 |
Product Name: |
1,3-Diaminopropane dihydrochloride |
CAS: |
10517-44-9 |
Synonyms: |
propane-1,3-diamine;dihydrochloride |
IUPAC Name: | propane-1,3-diamine;dihydrochloride |
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. |
Molecular Weight: | 147.05 |
Molecular Formula: | C3H12Cl2N2 |
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 °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 |
MDL: | MFCD00012525 |
LogP: | 2.29850 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
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 |
Publication Number | Title | Priority Date |
WO-2021035101-A1 | Molecules that bind to tdp-43 for the treatment of amyotrophic lateral sclerosis and related disorders | 20190822 |
US-2020131431-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
TW-202000946-A | Chemical activation of self-passivating metals | 20180611 |
US-2019376173-A1 | Chemical activation of self-passivating metals | 20180611 |
CN-112236540-A | Chemical activation of self-passivating metals | 20180611 |
PMID | Publication Date | Title | Journal |
30234300 | 20181108 | 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 | 20140701 | Acetylated 1,3-diaminopropane antagonizes abscisic acid-mediated stomatal closing in Arabidopsis | The Plant journal : for cell and molecular biology |
22982321 | 20121201 | Biohydrogels with magnetic nanoparticles as crosslinker: characteristics and potential use for controlled antitumor drug-delivery | Acta biomaterialia |
23022611 | 20121201 | Structure, DNA binding and cleavage of a new Zn(II)Mn(II) macrocyclic complex | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22885931 | 20121101 | 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 |
Complexity: | 12.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.0377538 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.0377538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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