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18860-78-1

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Basic Information
CAS No.: 18860-78-1
Name: DIAMINOIMINOBENZENE HYDROIODIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 18860-78-1 (DIAMINOIMINOBENZENE HYDROIODIDE)
Formula: C7H10N4O3
Molecular Weight: 198.181
Synonyms: N-Phenylguanidine nitrate;NITRIC ACID COMPOUND WITH N-PHENYLGUANIDINE (1:1);DIAMINOIMINOBENZENE HYDROIODIDE;2-Phenylguanidine nitrate;2-Phenylguanidine nitrate 99%;N-Phenylguanidine nitrate , 97+%;Phenylguanidine nitrate
Melting Point: 122 °C
Boiling Point: 290.5 °C at 760 mmHg
Flash Point: 129.5 °C
Hazard Symbols: IrritantXi
PSA: 130.45000
LogP: 2.16760
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Specification

The 2-Phenylguanidine nitrate is an organic compound with the formula C7H10N4O3. The systematic name of this chemical is 2-phenylguanidine nitrate. With the CAS registry number 18860-78-1, it is also named as Phenylguanidine mononitrate. The product's category is Phenyls & Phenyl-Het.

Physical properties about 2-Phenylguanidine nitrate are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): -1.47; (3)ACD/LogD (pH 7.4): -1.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 18.84 Å2; (12)Flash Point: 129.5 °C; (13)Enthalpy of Vaporization: 52.99 kJ/mol; (14)Boiling Point: 290.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00207 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)O.N(=C(/N)N)\c1ccccc1
(2)InChI: InChI=1/C7H9N3.HNO3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H,2,3,4)
(3)InChIKey: DIHKZQUSGDYVOT-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H9N3.HNO3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H,2,3,4)
(5)Std. InChIKey: DIHKZQUSGDYVOT-UHFFFAOYSA-N