1,2,3-tripyridin-2-ylguanidine 5440-94-8 98%
【Name】
1,2,3-tripyridin-2-ylguanidine
【Iupac name】
1,2,3-tripyridin-2-ylguanidine chloride
【CAS Registry number】
5440-94-8
【Synonyms】
5440-94-8
1,2,3-TRIPYRIDIN-2-YLGUANIDINE CHLORIDE
【Molecular Formula】
C16H14N6 (Products with the same molecular formula)
【Molecular Weight】
290.3226
【Inchi】
InChI=1/C16H14N6/c1-4-10-17-13(7-1)20-16(21-14-8-2-5-11-18-14)22-15-9-3-6-12-19-15/h1-12H,(H2,17,18,19,20,21,22)
【Canonical SMILES】
C1=CC=NC(=C1)NC(=NC2=CC=CC=N2)NC3=CC=CC=N3.[Cl-]
【MOL File】
5440-94-8.mol
Chemical and Physical Properties
【Density】
1.24g/cm3
【Boiling Point】
496.2°C at 760 mmHg
【Refractive Index】
1.669
【Flash Point】
253.9°C
【Computed Properties】
Molecular Weight:325.77556 [g/mol]
Molecular Formula:C16H14ClN6-
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:325.096847
MonoIsotopic Mass:325.096847
Topological Polar Surface Area:75.1
Heavy Atom Count:23
Formal Charge:-1
Complexity:337
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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