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CAS No.: | 93982-96-8 |
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Name: | N,N'-Diphenylguanidine monohydrobromide |
Molecular Structure: | |
Formula: | C13H13N3.HBr |
Molecular Weight: | 292.178 |
Synonyms: | Guanidine,N,N'-diphenyl-, monohydrobromide (9CI);N,N'-Diphenylguanidine hydrobromide; |
EINECS: | 301-283-6 |
Melting Point: | 158-160 °C |
Boiling Point: | 364.3 °C at 760 mmHg |
Flash Point: | 174.1 °C |
Appearance: | Crystalline powder |
PSA: | 47.91000 |
LogP: | 4.34920 |
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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