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2-(4-Aminophenyl)Sulfonylguanidine
[CAS 61116-95-8]

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Identification
Name 2-(4-Aminophenyl)Sulfonylguanidine
Synonyms Idi1_000633; Divk1c_000633; D02437
Molecular Structure CAS#: 61116-95-8, 2-(4-Aminophenyl)Sulfonylguanidine
Molecular Formula C7H10N4O2S
Molecular Weight 214.24
CAS Registry Number 61116-95-8
SMILES C1=C([S](=O)(=O)N=C(N)N)C=CC(=C1)N
InChI 1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKey BRBKOPJOKNSWSG-UHFFFAOYSA-N
Properties
Density 1.6±0.1g/cm3 (Cal.)
Melting point 189°C (Expl.)
Boiling point 488.4±47.0°C at 760 mmHg (Cal.)
Flash point 249.2±29.3°C (Cal.)
Safety Data
Safety Description Safety glasses, adequate ventilation.
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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