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Molecule
ID:82251
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₉H₃₄ClP
Molecular Mass
328.900021
Exact Mass
328.2086654
Charge
0
InChI
InChI=1S/C19H34P.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChIKey
WCHPXAFAEZGCMB-UHFFFAOYSA-M
Canonic Smiles
CCCC[P+](Cc1ccccc1)(CCCC)CCCC.[Cl-]
Isomeric Smiles
[Cl-].[P+](Cc1ccccc1)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9727535
LogD (pH = 7.4)
5.9727535
Log P
5.9727535
Molar Refractivity
93.8266
Polarizability
37.443756
Polar Surface Area
0.0
Rotatable Bonds
11
Lipinski's Rule of Five
false
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Properties
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Molecule Details
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Bioactivity
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General Information
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IUPAC Traditional name
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PubChem SID
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Molecular Spectra
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From Data Sources
Bioactivity
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Data Source
Academic Data
PubChem
200231
Commercial Catalog
Apollo Scientific
OR24961
Names and Identifiers
IUPAC name
benzyltributylphosphanium chloride
Synonyms
benzyl(tributyl)phosphonium chloride
IUPAC Traditional name
benzyltributylphosphanium chloride
Registration numbers
MDL Number
MFCD00775362
PubChem CID
200231
PubChem SID
162069370
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay