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350493-10-6 molecular structure
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1,2-dimethyl-3-octyl-2,3-dihydro-1H-imidazol-1-ium; tetrafluoroboranuide

ChemBase ID: 798595
Molecular Formular: C13H26BF4N2
Molecular Mass: 297.1635528
Monoisotopic Mass: 297.21251712
SMILES and InChIs

SMILES:
F[B-](F)(F)F.[N+]1(C(N(C=C1)CCCCCCCC)C)C
Canonical SMILES:
F[B-](F)(F)F.CCCCCCCCN1C=C[N+](C1C)C
InChI:
InChI=1S/C13H26N2.BF4/c1-4-5-6-7-8-9-10-15-12-11-14(3)13(15)2;2-1(3,4)5/h11-13H,4-10H2,1-3H3;/q;-1/p+1
InChIKey:
BGKLUCBATJRMJS-UHFFFAOYSA-O

Cite this record

CBID:798595 http://www.chembase.cn/molecule-798595.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethyl-3-octyl-2,3-dihydro-1H-imidazol-1-ium; tetrafluoroboranuide
IUPAC Traditional name
1,2-dimethyl-3-octyl-1,2-dihydroimidazol-1-ium tetrafluoroborate
Synonyms
1,2-dimethyl-3-octyl-1h-imidazolium tetrafluoroborate
CAS Number
350493-10-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11668 external link Add to cart
Data Source Data ID Price
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AJA-O11668 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) 3.4704258  LogD (pH = 7.4) 3.5520153 
Log P 3.5531614  Molar Refractivity 78.3621 cm3
Polarizability 26.330359 Å3 Polar Surface Area 7.68 Å2
Rotatable Bonds 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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