N,N'-Di-4-pyridinyl-methanediamine - CAS 4589-32-6

Catalog:	BB055919
Product Name:	N,N'-Di-4-pyridinyl-methanediamine
CAS:	4589-32-6
Synonyms:	4,4'-(Methylenediimino)di-pyridine

Technical Data

IUPAC Name:	N,N'-dipyridin-4-ylmethanediamine
Description:	N,N'-Di-4-pyridinyl-methanediamine is used to prepare bis(heteroaryl)-imidazolidinediones with oxalyl chloride.
Molecular Weight:	200.24
Molecular Formula:	C11H12N4
Canonical SMILES:	C1=CN=CC=C1NCNC2=CC=NC=C2
InChI:	InChI=1S/C11H12N4/c1-5-12-6-2-10(1)14-9-15-11-3-7-13-8-4-11/h1-8H,9H2,(H,12,14)(H,13,15)
InChI Key:	LUTPBKQQLZGLPQ-UHFFFAOYSA-N
Melting Point:	190 - 201°C
Solubility:	Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Ghandi, M., et al. Synth. Comm., 37, 637 (2007).

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.1061964
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.1061964
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5