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219947-93-0 molecular structure
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3-dodecyl-1-methyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

ChemBase ID: 798556
Molecular Formular: C16H31F6N2P
Molecular Mass: 396.3949202
Monoisotopic Mass: 396.21290495
SMILES and InChIs

SMILES:
[P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCCCCCCCC
Canonical SMILES:
F[P-](F)(F)(F)(F)F.CCCCCCCCCCCC[n+]1ccn(c1)C
InChI:
InChI=1S/C16H31N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-7(2,3,4,5)6/h14-16H,3-13H2,1-2H3;/q+1;-1
InChIKey:
MPHALGYBTKGJEV-UHFFFAOYSA-N

Cite this record

CBID:798556 http://www.chembase.cn/molecule-798556.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-dodecyl-1-methyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide
IUPAC Traditional name
1-dodecyl-3-methylimidazolium hexafluorophosphate
Synonyms
1-dodecyl-3-methylimidazolium hexafluorophosphate
CAS Number
219947-93-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11541 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11541 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4105719  LogD (pH = 7.4) 1.4105719 
Log P 1.4105719  Molar Refractivity 79.5343 cm3
Polarizability 31.20732 Å3 Polar Surface Area 8.81 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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