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20466-33-5 molecular structure
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lithium(1+) ion hexadecanoate

ChemBase ID: 152506
Molecular Formular: C16H31LiO2
Molecular Mass: 262.35714
Monoisotopic Mass: 262.24840978
SMILES and InChIs

SMILES:
[Li+].CCCCCCCCCCCCCCCC(=O)[O-]
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)[O-].[Li+]
InChI:
InChI=1S/C16H32O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1
InChIKey:
BZMIKKVSCNHEFL-UHFFFAOYSA-M

Cite this record

CBID:152506 http://www.chembase.cn/molecule-152506.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion hexadecanoate
IUPAC Traditional name
lithium(1+) ion n-hexadecanoate
Synonyms
Palmitic acid lithium salt
Lithium palmitate
棕榈酸 锂盐
软脂酸锂
CAS Number
20466-33-5
EC Number
243-842-6
MDL Number
MFCD00137401
Beilstein Number
3919098
PubChem SID
162246651
24886941
PubChem CID
23688914

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
76128 external link Add to cart Please log in.
Data Source Data ID
PubChem 23688914 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.9520197  H Acceptors
H Donor LogD (pH = 5.5) 5.600777 
LogD (pH = 7.4) 3.8416421  Log P 6.2565827 
Molar Refractivity 87.9207 cm3 Polarizability 30.60571 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
226-229 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.0% (NT) expand Show data source
Linear Formula
CH3(CH2)14COOLi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 76128 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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