1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane supplier

Name
1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane
EINECS
CAS No. 42790-42-1
Article Data5
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₃H₁₉N₂+
Boiling Point
Molecular Weight 238.76
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-(phenylmethyl)-;
PSA
LogP

1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane Specification

The 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane, with the CAS registry number 42790-42-1, is also known as 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-(phenylmethyl)-. This chemical's molecular formula is C₁₃H₁₉N₂ and molecular weight is 203.3028. What's more, its IUPAC name is called 4-Benzyl-1-aza-4-azoniabicyclo[2.2.2]octane.

Physical properties about 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane are: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccccc1C[N+]23CCN(CC2)CC3
(2) InChI: InChI=1/C13H19N2/c1-2-4-13(5-3-1)12-15-9-6-14(7-10-15)8-11-15/h1-5H,6-12H2/q+1
(3) InChIKey: AQBXOJYDGCYPNQ-UHFFFAOYAH

Product Name

1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane

1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane Specification

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