trans-N-(2-Pyridylmethylene)aniline - CAS 40468-86-8

Catalog:	BB024512
Product Name:	trans-N-(2-Pyridylmethylene)aniline
CAS:	40468-86-8
Synonyms:	N-phenyl-1-pyridin-2-ylmethanimine

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Computed Properties

IUPAC Name:	N-phenyl-1-pyridin-2-ylmethanimine
Description:	trans-N-(2-Pyridylmethylene)aniline (CAS# 40468-86-8 ) is a useful research chemical.
Molecular Weight:	182.22
Molecular Formula:	C12H10N2
Canonical SMILES:	C1=CC=C(C=C1)N=CC2=CC=CC=N2
InChI:	InChI=1S/C12H10N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-10H
InChI Key:	CSGRSRYPHUABSU-UHFFFAOYSA-N
Boiling Point:	97-101 °C / 0.1 mmHg
MDL:	MFCD00999432
LogP:	2.83220

Publication Number	Title	Priority Date
CN-112409188-A	Method for synthesizing N-alkylamine	20190820
CN-109851544-B	Preparation method of polysubstituted pyrrole compound	20190128
WO-2019078871-A1	PHOTOACTIVABLE PRODRANT AGAINST CANCER	20171019
US-10781226-B2	Photoactivatable cancer prodrug	20171019
US-2020239503-A1	Photoactivatable cancer prodrug	20171019

PMID	Publication Date	Title	Journal
21732652	20110801	π-Extended and six-coordinate iron(II) complexes: structures, magnetic properties, and the electrochemical synthesis of a conducting iron(II) metallopolymer	Inorganic chemistry
21681332	20110728	Unsymmetrical diimine chelation to M(II) (M=Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence	Dalton transactions (Cambridge, England : 2003)
20354612	20100421	Sticky complexes: carboxylic acid-functionalized N-phenylpyridin-2-ylmethanimine ligands as anchoring domains for copper and ruthenium dye-sensitized solar cells	Dalton transactions (Cambridge, England : 2003)
21578116	20091017	Methano-ldinitrato[N-(2-pyridylmethyl-ene)aniline]copper(II)	Acta crystallographica. Section E, Structure reports online
16813429	20060710	Synthesis and characterization of novel '3 + 2' oxorhenium complexes, ReO[SNO][NN]	Inorganic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.084398327
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.084398327
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5