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153433-26-2 molecular structure
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2-chloro-1,3-dimethylimidazolidin-1-ium; tetrafluoroboranuide

ChemBase ID: 798518
Molecular Formular: C5H12BClF4N2
Molecular Mass: 222.4197928
Monoisotopic Mass: 222.07181935
SMILES and InChIs

SMILES:
F[B-](F)(F)F.[NH+]1(C(N(CC1)C)Cl)C
Canonical SMILES:
F[B-](F)(F)F.CN1CC[NH+](C1Cl)C
InChI:
InChI=1S/C5H11ClN2.BF4/c1-7-3-4-8(2)5(7)6;2-1(3,4)5/h5H,3-4H2,1-2H3;/q;-1/p+1
InChIKey:
ZJAWOGYVMSAHHH-UHFFFAOYSA-O

Cite this record

CBID:798518 http://www.chembase.cn/molecule-798518.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1,3-dimethylimidazolidin-1-ium; tetrafluoroboranuide
IUPAC Traditional name
2-chloro-1,3-dimethylimidazolidin-1-ium tetrafluoroborate
Synonyms
2-chloro-1,3-dimethylimidazolidinium tetrafluoroborate
CAS Number
153433-26-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11446 external link Add to cart
Data Source Data ID Price
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AJA-O11446 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) 1.0636251  LogD (pH = 7.4) 1.0637745 
Log P 1.0637764  Molar Refractivity 47.0138 cm3
Polarizability 14.057681 Å3 Polar Surface Area 7.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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