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Guanidine,N,N'-diphenyl-, hydrobromide (1:1) (93982-96-8)

Identification
Name:Guanidine,N,N'-diphenyl-, hydrobromide (1:1)
Synonyms:Guanidine,N,N'-diphenyl-, monohydrobromide (9CI);N,N'-Diphenylguanidine hydrobromide;
CAS:93982-96-8
EINECS: 301-283-6
Molecular Formula: C13H13N3.HBr
Molecular Weight: 292.17436
Molecular Structure: (C13H13N3.HBr) Guanidine,N,N'-diphenyl-, monohydrobromide (9CI);N,N'-Diphenylguanidine hydrobromide;
Properties
Density:g/cm3
Water Solubility:Soluble in water and alcohol, insoluble in aqueous alkali, slightly soluble in organic solvent e.g. aether
Solubility:Soluble in water and alcohol, insoluble in aqueous alkali, slightly soluble in organic solvent e.g. aether
Appearance:Crystalline powder
Specification:

The N,N'-Diphenylguanidine monohydrobromide is an organic compound with the formula C13H13N3.HBr. The IUPAC name of this chemical is 1,2-diphenylguanidine hydrobromide. With the CAS registry number 93982-96-8, it is also named as 1,2-Diphenylguanidine hydrobromide. The product's category is Industrial/Fine Chemicals.

Physical properties about N,N'-Diphenylguanidine monohydrobromide are: (1)ACD/LogP: 2.85 ; (2)ACD/LogD (pH 5.5): 0.94; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 1.06; (5)ACD/BCF (pH 7.4): 14.17; (6)ACD/KOC (pH 5.5): 10.41; (7)ACD/KOC (pH 7.4): 138.88; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.84 Å2; (12)Flash Point: 174.1 °C; (13)Enthalpy of Vaporization: 61.05 kJ/mol; (14)Boiling Point: 364.3 °C at 760 mmHg; (15)apour Pressure: 1.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Br.N(=C(/Nc1ccccc1)N)\c2ccccc2
(2)InChI: InChI=1/C13H13N3.BrH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H
(3)InChIKey: DSESGJJGBBAHNW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H13N3.BrH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H
(5)Std. InChIKey: DSESGJJGBBAHNW-UHFFFAOYSA-N

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