2,3,4,5,6,7,8,8a-Octahydro-1H-quinolizine; 2,4,6-trinitrophenol supplier

Name
2,4,6-trinitrophenol - octahydro-2H-quinolizine (1:1)
EINECS
CAS No. 18063-86-0
Density
Solubility
Melting Point
Formula C₁₅H₂₀N₄O₇
Boiling Point 303.6 °C at 760 mmHg
Molecular Weight 368.33
Flash Point 133.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,6-Trinitrophenol - octahydro-2H-quinolizine (1:1);2H-Quinolizine, octahydro-, compd. with 2,4,6-trinitrophenol (1:1);
PSA
LogP

2,3,4,5,6,7,8,8a-Octahydro-1H-quinolizine; 2,4,6-trinitrophenol Specification

The 2,3,4,5,6,7,8,8a-Octahydro-1H-quinolizine; 2,4,6-trinitrophenol, with the CAS registry number 18063-86-0, is also known as 2H-Quinolizine, octahydro-, compd. with 2,4,6-trinitrophenol (1:1). This chemical's molecular formula is C₁₅H₂₀N₄O₇ and molecular weight is 368.13. What's more, its systematic name is called 2,4,6-Trinitrophenol - octahydro-2H-quinolizine (1:1).

Physical properties about 2,3,4,5,6,7,8,8a-Octahydro-1H-quinolizine; 2,4,6-trinitrophenol are: (1)ACD/LogP: 1.838; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 146.69 Å²; (7)Flash Point: 133.9 °C; (8)Enthalpy of Vaporization: 56.56 kJ/mol; (9)Boiling Point: 303.6 °C at 760 mmHg; (10)Vapour Pressure: 0.000514 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1O.N21C(CCCC1)CCCC2
(2) InChI: InChI=1S/C9H17N.C6H3N3O7/c1-3-7-10-8-4-2-6-9(10)5-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9H,1-8H2;1-2,10H
(3) InChIKey: UBPKWFYOXCECAB-UHFFFAOYSA-N

Product Name

2,4,6-trinitrophenol - octahydro-2H-quinolizine (1:1)

2,3,4,5,6,7,8,8a-Octahydro-1H-quinolizine; 2,4,6-trinitrophenol Specification

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