Basic Information | Post buying leads | Suppliers |
Name |
1,4,7-Triazabicyclo[5.2.2]undecane |
EINECS | N/A |
CAS No. | 37571-28-1 | Density | 1.074 g/cm3 |
PSA | 18.51000 | LogP | -0.58820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H17N3 | Boiling Point | 247.978 °C at 760 mmHg |
Molecular Weight | 155.2407 | Flash Point | 118.469 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4,7-Triazabicyclo[5.2.2]undecane(9CI);1,4,7-TRIAZABICYCLO[5.2.2]UNDECAN |
The CAS registry number of 1,4,7-Triazabicyclo[5.2.2]undecane is 37571-28-1. It belongs to the product category of Piperidine. This chemical's molecular formula is C8H17N3 and molecular weight is 155.2407.
Physical properties about 1,4,7-Triazabicyclo[5.2.2]undecane are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 18.51 Å2; (10)Index of Refraction: 1.556; (11)Molar Refractivity: 46.414 cm3; (12)Molar Volume: 144.493 cm3; (13)Polarizability: 18.4×10-24 cm3; (14)Surface Tension: 44.06 dyne/cm; (15)Density: 1.074 g/cm3; (16)Flash Point: 118.469 °C; (17)Enthalpy of Vaporization: 48.516 kJ/mol; (18)Boiling Point: 247.978 °C at 760 mmHg; (19)Vapour Pressure: 0.025 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CN2CCN(CCN1)CC2
(2) InChI: InChI=1/C8H17N3/c1-3-10-5-7-11(8-6-10)4-2-9-1/h9H,1-8H2
(3) InChIKey: IYNGLSRZLOHZJA-UHFFFAOYAH