Basic Information | Post buying leads | Suppliers |
Name |
1,3,6,8-Tetraazatricyclo[6.2.1.13,6]dodecane |
EINECS | 242-188-9 |
CAS No. | 18304-79-5 | Density | 1.28 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H16N4 | Boiling Point | 248.4 °C at 760 mmHg |
Molecular Weight | 168.24 | Flash Point | 98.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3,6,8-Diendomethylene-1,3,6,8-tetraazacyclodecane;Dimtac;NSC 4436; |
This product is an organic compound with the formula C8H16N4. The systematic name of this chemical is 1,3,6,8-Tetraazatricyclo[6.2.1.13,6]dodecane. With the CAS registry number 18304-79-5, it is also named as 1,3,6,8-Diendomethylene-1,3,6,8-tetraazacyclodecane. In addition, the molecular weight is 168.24.
Physical properties of 1,3,6,8-Tetraazatricyclo[6.2.1.13,6]dodecane are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.39; (8)ACD/KOC (pH 7.4): 22.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.96 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 48.48 cm3; (15)Molar Volume: 131.1 cm3; (16)Polarizability: 19.22×10-24cm3; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 98.2 °C; (20)Enthalpy of Vaporization: 48.56 kJ/mol; (21)Boiling Point: 248.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0243 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN2CN1CN3CCN(C3)C2
(2)InChI: InChI=1S/C8H16N4/c1-2-10-5-9(1)7-11-3-4-12(6-11)8-10/h1-8H2
(3)InChIKey: ZBFHXDNNFOOFLY-UHFFFAOYSA-N