Octadecylamine - CAS 124-30-1

Technical Data

IUPAC Name:	octadecan-1-amine
Description:	Octadecylamine (CAS# 124-30-1) is used in the synthesis of polyurethane compounds and resins.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.
Molecular Weight:	269.51
Molecular Formula:	C18H39N
Canonical SMILES:	CCCCCCCCCCCCCCCCCCN
InChI:	InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
InChI Key:	REYJJPSVUYRZGE-UHFFFAOYSA-N
Boiling Point:	349 ℃
Melting Point:	50-60 ℃
Flash Point:	148°C
Purity:	95 %
Density:	0.86 g/cm³
Appearance:	White to off-white solid
Storage:	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
Decomposition:	When heated to decomposition it emits toxic fumes of nitroxides
MDL:	MFCD00008159
LogP:	6.90690
Refractive Index:	1.4522
Stability:	Stable at normal temperatures and pressures.
Vapor Pressure:	0.0000438 [mmHg]

GHS Hazard Statement:	H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P260, P264, P273, P280, P301+P310, P302+P352, P305+P351+P338, P310, P314, P321, P331, P332+P313, P362, P391, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-11033495-B1	Manufacturing of bupivacaine multivesicular liposomes	20210122
US-10874687-B1	Highly active compounds against COVID-19	20200227
US-2021189035-A1	Acrylate Copolymer and Use Thereof	20191220
WO-2021124301-A1	Formulations and method for treatment of inflammatory diseases	20191220
WO-2021126264-A1	Inkjet inks	20191220

PMID	Publication Date	Title	Journal
24461293	20140215	Dual inhibition of HCV and HIV by ring-expanded nucleosides containing the 5:7-fused imidazo[4,5-e][1,3]diazepine ring system. In vitro results and implications	Bioorganic & medicinal chemistry letters
23044268	20130101	Solvothermal synthesis of well-dispersed ZnSe microspheres	Journal of colloid and interface science
23057722	20121030	Directed coassembly of oriented PbS nanoparticles and monocrystalline sheets of alkylamine surfactant	Langmuir : the ACS journal of surfaces and colloids
22914847	20121021	A new route for the fabrication of an ultrathin film of a PdO-TiO2 composite photocatalyst	Dalton transactions (Cambridge, England : 2003)
22978680	20121016	Origin of the contact angle hysteresis of water on chemisorbed and physisorbed self-assembled monolayers	Langmuir : the ACS journal of surfaces and colloids

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.308250248
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	269.308250248
Rotatable Bond Count:	16
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.5