Bis(hexamethylene)triamine - CAS 143-23-7

Name: Bis(hexamethylene)triamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	N'-(6-aminohexyl)hexane-1,6-diamine
Description:	Bis(hexamethylene)triamine (CAS# 143-23-7) is an intermediate in synthesizing 2-Aminoimidazo[4,5-f]quinoline (A611680), a metabolite of the carcinogen 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), (A616500).
Molecular Weight:	215.38
Molecular Formula:	C12H29N3
Canonical SMILES:	C(CCCNCCCCCCN)CCN
InChI:	InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
InChI Key:	MRNZSTMRDWRNNR-UHFFFAOYSA-N
Boiling Point:	163-165 °C4 mmHg (lit.)
Melting Point:	33-36 °C (lit.)
Purity:	> 90.0 % (T)
Density:	0.85 g/cm³
Appearance:	A colorless crystalline or flaked solid. corrosive. irritating to skin and eyes. may be toxic by ingestion. used to make plastics.
Storage:	2-8 °C
MDL:	MFCD00010448
LogP:	3.40570

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H311 (20.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H312 (20.07%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (53.65%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (16.06%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021125919-A1	Slurry composition for polishing organic film	20191220
WO-2021126780-A1	Combination of crosslinkers to improve coating properties	20191220
EP-3835378-A1	Two component (2k) curable adhesive composition	20191213
EP-3835383-A1	One component (1k) curable adhesive composition	20191213
EP-3835386-A1	Two component (2k) curable adhesive composition	20191213

PMID	Publication Date	Title	Journal
22250577	20120214	An effective polymer cross-linking strategy to obtain stable dispersions of upconverting NaYF4 nanoparticles in buffers and biological growth media for biolabeling applications	Langmuir : the ACS journal of surfaces and colloids
21593793	20110519	The propeptide of yeast cathepsin D inhibits programmed necrosis	Cell death & disease
19705394	20091005	Guest-directed supramolecular architectures of {W36} polyoxometalate crowns	Chemistry, an Asian journal
16287032	20060101	Characterization of industrial alkylpolyphosphonates by infusion electrospray ionization-ion trap mass spectrometry with identification of the impurities by tandem capillary zone electrophoresis	Journal of mass spectrometry : JMS
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

Complexity:	95
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.236147938
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	215.236147938
Rotatable Bond Count:	12
Topological Polar Surface Area:	64.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8