1,3-Diaminopropane dihydrochloride - CAS 10517-44-9

Name: 1,3-Diaminopropane dihydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001568
Product Name:	1,3-Diaminopropane dihydrochloride
CAS:	10517-44-9
Synonyms:	propane-1,3-diamine;dihydrochloride

Technical Data

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