Synonyms
1310544-60-5;N,N'-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate;MFCD28384133;N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;dihydrate;tetrahydrochloride;N,N-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate;
IUPAC Name
N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;dihydrate;tetrahydrochloride;
Molecular Weight
424.188g/mol
Molecular Formula
C14H26Cl4N4O2;
Canonical SMILES
C1=CC=NC(=C1)CNCCNCC2=CC=CC=N2.O.O.Cl.Cl.Cl.Cl;
InChI
InChI=1S/C14H18N4.4ClH.2H₂O/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14;;;;;;/h1-8,15-16H,9-12H2;4*1H;2*1H2;
InChI Key
OQNCOXYRPPPEIW-UHFFFAOYSA-N;
Complexity
188
Covalently-Bonded Unit Count
7
Exact Mass
424.078g/mol
H-Bond Acceptor
6
H-Bond Donor
8
Heavy Atom Count
24
Monoisotopic Mass
422.081g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
51.8A^2
