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5852-58-4 molecular structure
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tributylarsane

ChemBase ID: 110429
Molecular Formular: C12H27As
Molecular Mass: 246.26438
Monoisotopic Mass: 246.13287186
SMILES and InChIs

SMILES:
CCCC[As](CCCC)CCCC
Canonical SMILES:
CCCC[As](CCCC)CCCC
InChI:
InChI=1S/C12H27As/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKey:
XAZAQTBGMXGTBD-UHFFFAOYSA-N

Cite this record

CBID:110429 http://www.chembase.cn/molecule-110429.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributylarsane
IUPAC Traditional name
tributylarsane
Synonyms
ARSENIC tri-n-BUTYL
CAS Number
5852-58-4
PubChem SID
162096945
PubChem CID
537047

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05214981 external link Add to cart Please log in.
Data Source Data ID
PubChem 537047 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7787  LogD (pH = 7.4) 4.7787 
Log P 4.7787  Molar Refractivity 58.4157 cm3
Polarizability 26.63271 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 - 05214981 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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