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155614-07-6 molecular structure
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(dodecyloxy)sulfonic acid sodium

ChemBase ID: 131050
Molecular Formular: C12H26NaO4S
Molecular Mass: 289.38721
Monoisotopic Mass: 289.14494959
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOS(=O)(=O)O.[Na]
Canonical SMILES:
CCCCCCCCCCCCOS(=O)(=O)O.[Na]
InChI:
InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);
InChIKey:
FMWAXKQEIXRUTI-UHFFFAOYSA-N

Cite this record

CBID:131050 http://www.chembase.cn/molecule-131050.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dodecyloxy)sulfonic acid sodium
IUPAC Traditional name
N-dodecyl sulfate sodium
Synonyms
Lauryl-1-14C sulfate sodium salt
SDS
Sodium dodecyl sulfate-1-14C
CAS Number
155614-07-6
MDL Number
MFCD00214412
PubChem SID
24896321
162225328
PubChem CID
6330930

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
L2656 external link Add to cart Please log in.
Data Source Data ID
PubChem 6330930 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.4508551  H Acceptors
H Donor LogD (pH = 5.5) 2.0404696 
LogD (pH = 7.4) 2.0404584  Log P 4.4168572 
Molar Refractivity 68.9347 cm3 Polarizability 28.167126 Å3
Polar Surface Area 63.6 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
aqueous solution expand Show data source
European Hazard Symbols
R expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2910 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
7 expand Show data source
Risk Statements
21/22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
RID/ADR
UN 2910 7 expand Show data source
Storage Temperature
2-8°C expand Show data source
Extent of Labeling
≥10 mCi per mmol expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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