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4-Cyanobutyl(triphenyl)phosphanium

HCID 6333322
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
BVORGPRCVTVWQN-UHFFFAOYSA-N
Molecular formula
C23H23NP+
Average molar mass
344.4 g/mol

Names & identifiers

Preferred name
4-Cyanobutyl(triphenyl)phosphanium
IUPAC
4-cyanobutyl(triphenyl)phosphanium

Names & synonyms

SCHEMBL4801702

Database identifiers

PubChem CID
6333322

Properties

Computed structural properties

XLogP
5
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
25
Formal charge
1
Complexity
373

Related reactions

3 records
New reaction record
HRID 123537 reaction equation
HRID 123537As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 185727 reaction equation
HRID 185727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 684774 reaction equation
HRID 684774As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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