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4-imino-5-phenyl-1,3,5-triazin-2-amine 5431-21-0 98%
【Name】
(4Z)-4-imino-5-phenyl-4,5-dihydro-1,3,5-triazin-2-amine
【Iupac name】
4-imino-5-phenyl-1,3,5-triazin-2-amine hydrochloride
【CAS Registry number】
5431-21-0
【Synonyms】
NSC13570
NSC-13570
5431-21-0
【Molecular Formula】
C9H9N5 (Products with the same molecular formula)
【Molecular Weight】
187.2013
【Inchi】
InChI=1/C9H9N5/c10-8-12-6-14(9(11)13-8)7-4-2-1-3-5-7/h1-6H,(H3,10,11,13)
【Canonical SMILES】
C1=CC=C(C=C1)N2C=NC(=NC2=N)N.Cl
【MOL File】
5431-21-0.mol
Chemical and Physical Properties
【Density】
1.39g/cm3
【Boiling Point】
306.2°C at 760 mmHg
【Refractive Index】
1.716
【Flash Point】
139°C
【Computed Properties】
Molecular Weight:223.6622 [g/mol]
Molecular Formula:C9H10ClN5
H-Bond Donor:3
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:223.062473
MonoIsotopic Mass:223.062473
Topological Polar Surface Area:77.8
Heavy Atom Count:15
Formal Charge:0
Complexity:288
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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