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219947-94-1 molecular structure
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1-methyl-3-tetradecyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

ChemBase ID: 798557
Molecular Formular: C18H35F6N2P
Molecular Mass: 424.4480802
Monoisotopic Mass: 424.24420508
SMILES and InChIs

SMILES:
[P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCCCCCCCCCC
Canonical SMILES:
F[P-](F)(F)(F)(F)F.CCCCCCCCCCCCCC[n+]1ccn(c1)C
InChI:
InChI=1S/C18H35N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;1-7(2,3,4,5)6/h16-18H,3-15H2,1-2H3;/q+1;-1
InChIKey:
VYARLXKWHFGQBN-UHFFFAOYSA-N

Cite this record

CBID:798557 http://www.chembase.cn/molecule-798557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-3-tetradecyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide
IUPAC Traditional name
3-methyl-1-tetradecylimidazol-1-ium hexafluorophosphate
Synonyms
1-tetradecyl-3-methylimidazolium hexafluorophosphate
CAS Number
219947-94-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11542 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11542 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) 2.2997093  LogD (pH = 7.4) 2.2997093 
Log P 2.2997093  Molar Refractivity 88.7363 cm3
Polarizability 34.899952 Å3 Polar Surface Area 8.81 Å2
Rotatable Bonds 13  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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