4-[3-methyl-3-(2-ph...

4-[3-methyl-3-(2-phenylethyl)triazanylidene]-4H-imidazole-5-carboxamide(CAS No. 56010-85-6)

4-[3-methyl-3-(2-phenylethyl)triazanylidene]-4H-imidazole-5-carboxamide(CAS No. 56010-85-6)

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  • Min.Order :1 Kilogram
  • Purity: 99%
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Keywords

5-[(methyl-phenethyl-amino)hydrazinylidene]imidazole-4-carboxamide 56010-85-6 98%

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  • Appearance:Solid
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Details:

Name】
4-[3-methyl-3-(2-phenylethyl)triazanylidene]-4H-imidazole-5-carboxamide
【CAS Registry number】
56010-85-6
【Synonyms】
AC1NSBL6
5-[[methyl(phenethyl)amino]hydrazinylidene]imidazole-4-carboxamide
【Molecular Formula】
C13H16N6O (Products with the same molecular formula)
【Molecular Weight】
272.3057
【Inchi】
InChI=1/C13H16N6O/c1-19(8-7-10-5-3-2-4-6-10)18-17-13-11(12(14)20)15-9-16-13/h2-6,9,18H,7-8H2,1H3,(H2,14,20)
【Canonical SMILES】
CN(CCC1=CC=CC=C1)NN=C2C(=NC=N2)C(=O)N
【MOL File】
56010-85-6.mol
Chemical and Physical Properties
【Density】
1.31g/cm3
【Boiling Point】
437.3°C at 760 mmHg
【Refractive Index】
1.653
【Flash Point】
218.3°C
【Computed Properties】
Molecular Weight:272.30574 [g/mol]
Molecular Formula:C13H16N6O
XLogP3-AA:1.7
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:6
Tautomer Count:9
Exact Mass:272.138559
MonoIsotopic Mass:272.138559
Topological Polar Surface Area:95.4
Heavy Atom Count:20
Formal Charge:0
Complexity:436
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:123

 

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