(3-Cyanopropyl)triphenylphosphonium

HCID 151485CAS 122494-51-3

Substructure search Find similar structures

Basic information

Standard SMILES: N#CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: NNVNGIVUNHCLBC-UHFFFAOYSA-N
Molecular formula: C22H21NP+
Average molar mass: 330.4 g/mol

Overview

RN refers to bromide

Names & identifiers

Preferred name: (3-Cyanopropyl)triphenylphosphonium
IUPAC: 3-cyanopropyl(triphenyl)phosphanium

Names & synonyms

7752-62-7(3-Cyanopropyl)triphenylphosphonium3-Cptpp5543QH4765RefChem:69117Phosphonium, (3-cyanopropyl)triphenyl-, bromidePhosphonium,(3-cyanopropyl)triphenyl-, bromide (1:1)3-cyanopropyl(triphenyl)phosphoniumNSC131459CHEMBL1184550SCHEMBL151324324-(Triphenylphosphoranyl)butanenitrile

Show more names

Phosphonium, (3-cyanopropyl)triphenyl-122494-51-3

Database identifiers

CAS: 122494-51-3、7752-62-7
PubChem CID: 151485
ChEMBL: CHEMBL1184550
UNII: 5543QH4765

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 1
Complexity: 359

Related reactions

4 records

New reaction record

HRID 138313As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 146375As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168771As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1551570As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

Loading…