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3085-79-8 molecular structure
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tributyl(methyl)azanium iodide

ChemBase ID: 107083
Molecular Formular: C13H30IN
Molecular Mass: 327.28847
Monoisotopic Mass: 327.14229797
SMILES and InChIs

SMILES:
[I-].CCCC[N+](C)(CCCC)CCCC
Canonical SMILES:
CCCC[N+](CCCC)(CCCC)C.[I-]
InChI:
InChI=1S/C13H30N.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKey:
DXJLCRNXYNRGRA-UHFFFAOYSA-M

Cite this record

CBID:107083 http://www.chembase.cn/molecule-107083.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(methyl)azanium iodide
IUPAC Traditional name
tributyl(methyl)azanium iodide
Synonyms
METHYLTRIBUTYLAMMONIUM IODIDE
CAS Number
3085-79-8
PubChem SID
162093245
PubChem CID
76521

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202481 external link Add to cart Please log in.
Data Source Data ID
PubChem 76521 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.701068E-4  LogD (pH = 7.4) -4.701068E-4 
Log P -4.701068E-4  Molar Refractivity 77.5225 cm3
Polarizability 26.193508 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202481 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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