1,3,6,8-Tetraazatricyclo[6.2.1.13,6]dodecane supplier

Name
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane, stereoisomer
EINECS 242-188-9
CAS No. 18304-79-5
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₈H₁₆N₄
Boiling Point 248.4 °C at 760 mmHg
Molecular Weight 168.24
Flash Point 98.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,6,8-Diendomethylene-1,3,6,8-tetraazacyclodecane;Dimtac;NSC 4436;
PSA
LogP

1,3,6,8-Tetraazatricyclo[6.2.1.13,6]dodecane Specification

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

Product Name

1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane, stereoisomer

1,3,6,8-Tetraazatricyclo[6.2.1.13,6]dodecane Specification

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