1,4,7-Triazabicyclo[5.2.2]undecane supplier

Name
1,4,7-Triazabicyclo[5.2.2]undecane(9CI)
EINECS
CAS No. 37571-28-1
Density 1.074 g/cm³
Solubility
Melting Point
Formula C₈H₁₇N₃
Boiling Point 247.978 °C at 760 mmHg
Molecular Weight 155.2407
Flash Point 118.469 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4,7-Triazabicyclo[5.2.2]undecane(9CI);1,4,7-TRIAZABICYCLO[5.2.2]UNDECAN
PSA 18.51000
LogP -0.58820

1,4,7-Triazabicyclo[5.2.2]undecane Specification

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

Product Name

1,4,7-Triazabicyclo[5.2.2]undecane(9CI)

1,4,7-Triazabicyclo[5.2.2]undecane Specification

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