1,8-Diaminooctane - CAS 373-44-4

Catalog:	BB023260
Product Name:	1,8-Diaminooctane
CAS:	373-44-4
Synonyms:	octane-1,8-diamine
Application:	Used to produce fungicides.

Technical Data

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Computed Properties

IUPAC Name:	octane-1,8-diamine
Description:	1,8-Diaminooctane (CAS# 373-44-4) is a useful research chemical compound.
Molecular Weight:	144.26
Molecular Formula:	C8H20N2
Canonical SMILES:	C(CCCCN)CCCN
InChI:	InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChI Key:	PWGJDPKCLMLPJW-UHFFFAOYSA-N
Boiling Point:	225-226 ℃
Melting Point:	50-54 ℃
Flash Point:	329 °F
Purity:	98 %
Density:	0.98 g/cm³
Appearance:	White to yellowish solidified crystalline mass
Storage:	2-8 ℃
MDL:	MFCD00008248
LogP:	2.64500
Refractive Index:	1.4618 (estimate)

Publication Number	Title	Priority Date
EP-3763769-A1	Method for preparing copolyamide resin and copolyamide hot-melt yarn	20201109
EP-3842472-A1	Process for producing a concentrated aqueous solution of a salt of a diamine and dicarboxylic acid	20191223
US-2021189124-A1	Polyamide molding compounds for hypochlorite-resistant applications	20191223
EP-3838907-A1	Reactive phosporous contaning flame retardant and intrinsically flame retradant polymer obtainable by polycondensation with it	20191220
WO-2021123096-A1	Reactive phosporous contaning flame retardant and intrinsically flame retardant polymer obtainable by polycondensation with it	20191220

PMID	Publication Date	Title	Journal
22966598	20120701	Fabrication of triple-layered magnetite/hydrogel/quantum dots via the molecular linkage of bi-functional diamines	Journal of nanoscience and nanotechnology
22273172	20120216	Nanostructured diamine-fullerene derivatives: computational density functional theory study and experimental evidence for their formation via gas-phase functionalization	The journal of physical chemistry. A
21927728	20111207	Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N6 ligands: the roles of flexibility and chelate ring size	Dalton transactions (Cambridge, England : 2003)
21770217	20110601	'Green' functionalization of pristine multi-walled carbon nanotubes with long-chain aliphatic amines	Journal of nanoscience and nanotechnology
20817196	20101201	Dispersion of single walled carbon nanotubes in organogels by incorporation into organogel fibers	Journal of colloid and interface science

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[333311-69-6]
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[1281984-38-0]
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[55877-31-1]
1-Benzofuran-3-carbonitrile

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GHS Hazard Statement:	H302 (72.26%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	47.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.162648646
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	144.162648646
Rotatable Bond Count:	7
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9