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121057-90-7 molecular structure
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1-ethyl-1-methylpyrrolidin-1-ium; hexafluoro-λ5-phosphanuide

ChemBase ID: 142755
Molecular Formular: C7H16F6NP
Molecular Mass: 259.1728202
Monoisotopic Mass: 259.09245547
SMILES and InChIs

SMILES:
CC[N+]1(CCCC1)C.F[P-](F)(F)(F)(F)F
Canonical SMILES:
F[P-](F)(F)(F)(F)F.CC[N+]1(C)CCCC1
InChI:
InChI=1S/C7H16N.F6P/c1-3-8(2)6-4-5-7-8;1-7(2,3,4,5)6/h3-7H2,1-2H3;/q+1;-1
InChIKey:
WSYWUTMEDIHQRK-UHFFFAOYSA-N

Cite this record

CBID:142755 http://www.chembase.cn/molecule-142755.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-1-methylpyrrolidin-1-ium; hexafluoro-λ5-phosphanuide
IUPAC Traditional name
1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate
Synonyms
1-Ethyl-1-methylpyrrolidinium hexafluorophosphate
1-甲基-1-乙基吡咯烷鎓六氟磷酸盐
CAS Number
121057-90-7
MDL Number
MFCD08458498
PubChem SID
162236981
PubChem CID
23082568

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
713198 external link Add to cart Please log in.
Data Source Data ID
PubChem 23082568 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2095618  LogD (pH = 7.4) -3.2095618 
Log P -3.2095618  Molar Refractivity 48.1913 cm3
Polarizability 14.371663 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥96.5% expand Show data source
97% expand Show data source
Impurities
≤0.5% water expand Show data source
Empirical Formula (Hill Notation)
C7H16F6NP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 713198 external link
Packaging
5 g in poly tube
50 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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