Tris(2-pyridylmethyl)amine - CAS 16858-01-8

Name: Tris(2-pyridylmethyl)amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012480
Product Name:	Tris(2-pyridylmethyl)amine
CAS:	16858-01-8
Synonyms:	1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

Technical Data

IUPAC Name:	1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
Description:	ATRP for Everyone: Ligands and Initiators for the Clean Synthesis of Functional Polymers.
Molecular Weight:	290.36
Molecular Formula:	C18H18N4
Canonical SMILES:	C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3
InChI:	InChI=1S/C18H18N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1-12H,13-15H2
InChI Key:	VGUWFGWZSVLROP-UHFFFAOYSA-N
Boiling Point:	198 °C (lit.)
Melting Point:	85-89 °C
Flash Point:	219.2 °F
Purity:	98%
Density:	1.175 g/cm³
Appearance:	Brown solid
LogP:	3.07400
Refractive Index:	n20/D 1.455

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23051175	20121105	Kinetic and mechanistic aspects of atom transfer radical addition (ATRA) catalyzed by copper complexes with tris(2-pyridylmethyl)amine	Inorganic chemistry
22885674	20121007	Cobalt complexes with tripodal ligands: implications for the design of drug chaperones	Dalton transactions (Cambridge, England : 2003)
22905650	20120903	Characterization of cobalt(III) hydroxamic acid complexes based on a tris(2-pyridylmethyl)amine scaffold: reactivity toward cysteine methyl ester	Inorganic chemistry
22580819	20120801	Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)-oxo complex: possibility of rearrangement pathways	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
22692585	20120721	Improvement of durability of an organic photocatalyst in p-xylene oxygenation by addition of a Cu(II) complex	Physical chemistry chemical physics : PCCP

Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.153146591
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	290.153146591
Rotatable Bond Count:	6
Topological Polar Surface Area:	41.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6