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| CAS No.: | 15894-70-9 |
|---|---|
| Name: | 1,6-Bis(cyano-guanidino)hexane |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H18N8 |
| Molecular Weight: | 250.307 |
| Synonyms: | Guanidine,1,1'-hexamethylenebis[3-cyano- (6CI,8CI);1,6-Bis(N3-cyano-N1-guanidino)hexane;1,6-Bis(cyanoguanidino)hexane;1,6-Di(cyanoguanidino)hexane;Hexamethylenebis(dicyanodiamide);N,N'-Bis(cyanoguanidine)-1,6-hexanediamine; |
| EINECS: | 240-032-4 |
| Density: | 1.25 g/cm3 |
| Melting Point: | >295 °C |
| Boiling Point: | 437.7 °C at 760 mmHg |
| Flash Point: | 218.5 °C |
| Solubility: | 7.05mg/L at 25℃ |
| Appearance: | White Solid |
| PSA: | 143.40000 |
| LogP: | 1.49996 |
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Specification
The 1,6-Bis(cyano-guanidino)hexane is an organic compound with the formula C10H18N8. The IUPAC name of this chemical is 2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine. With the CAS registry number 15894-70-9, it is also named as 1,1'-(1,6-Hexanediyl)bis(3-cyanoguanidine). The product's categories are Small Molecule; Aliphatics; Metabolites & Impurities.
Physical properties about 1,6-Bis(cyano-guanidino)hexane are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.16; (8)ACD/KOC (pH 7.4): 17.17; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 85.26 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 68.5 cm3; (15)Molar Volume: 199.6 cm3; (16)Polarizability: 27.15×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 218.5 °C; (20)Enthalpy of Vaporization: 69.44 kJ/mol; (21)Boiling Point: 437.7 °C at 760 mmHg; (22)Vapour Pressure: 7.3E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CNC(=N/CCCCCC/N=C(\N)NC#N)/N
(2)InChI: InChI=1/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)
(3)InChIKey: YXZZOMVBHPCKMM-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)
(5)Std. InChIKey: YXZZOMVBHPCKMM-UHFFFAOYSA-N