1,6-Bis(cyano-guanidino)hexane supplier

Name
1,6-Bis(cyano-guanidino)hexane
EINECS 240-032-4
CAS No. 15894-70-9
Article Data6
CAS DataBase
Density 1.25 g/cm³
Solubility 7.05mg/L at 25℃
Melting Point >295 °C
Formula C₁₀H₁₈N₈
Boiling Point 437.7 °C at 760 mmHg
Molecular Weight 250.307
Flash Point 218.5 °C
Transport Information
Appearance White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 143.40000
LogP 1.49996

1,6-Bis(cyano-guanidino)hexane 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

Product Name

1,6-Bis(cyano-guanidino)hexane

1,6-Bis(cyano-guanidino)hexane Specification

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