Triethyl(prop-2-enyl)azanium

HCID 20152

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 42729-68-0
Standard SMILES: C=CC[N+](CC)(CC)CC
InChIKey: WYVYEIXLHVEXCJ-UHFFFAOYSA-N
Molecular formula: C9H20N+
Average molar mass: 142.26 g/mol
Monoisotopic mass: 142.15957464

Names & identifiers

Preferred name: Triethyl(prop-2-enyl)azanium
IUPAC: triethyl(prop-2-enyl)azanium

Names & synonyms

triethyl(prop-2-enyl)azanium42729-68-02-Propen-1-aminium, N,N,N-triethyl-triethyl-prop-2-enylazanium bromideSCHEMBL361099SCHEMBL5916804WYVYEIXLHVEXCJ-UHFFFAOYSA-DTXSID60274664N,N,N-Triethylprop-2-en-1-aminiumAKOS002793956InChI=1/C9H20N/c1-5-9-10(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/q+1

Database identifiers

CAS: 42729-68-0
PubChem CID: 20152
DTXSID: DTXSID60274664
Nikkaji: J231.997G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 1
Complexity: 84.6

Related reactions

1 records

New reaction record

HRID 2328002As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…