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2571-88-2 molecular structure
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N,N-dimethyloctadecanamine oxide

ChemBase ID: 156280
Molecular Formular: C20H43NO
Molecular Mass: 313.56152
Monoisotopic Mass: 313.334465
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]
Canonical SMILES:
CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]
InChI:
InChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h4-20H2,1-3H3
InChIKey:
UTTVXKGNTWZECK-UHFFFAOYSA-N

Cite this record

CBID:156280 http://www.chembase.cn/molecule-156280.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyloctadecanamine oxide
IUPAC Traditional name
N,N-dimethyloctadecanamine oxide
Synonyms
Dimethylstearylamine oxide
Octadecyldimethylamine oxide
N,N-Dimethyloctadecylamine N-oxide solution
CAS Number
2571-88-2
MDL Number
MFCD00042638
Beilstein Number
1957563
PubChem SID
24865664
162250418
PubChem CID
17388

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
40965 external link Add to cart Please log in.
Data Source Data ID
PubChem 17388 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.6102004  LogD (pH = 7.4) 6.6136093 
Log P 6.6136546  Molar Refractivity 100.3206 cm3
Polarizability 39.260063 Å3 Polar Surface Area 26.88 Å2
Rotatable Bonds 17  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
paste 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
Concentration
~25% in H2O expand Show data source
Description
non-ionic expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤500 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Linear Formula
CH3(CH2)17N(O)(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 40965 external link
Application
Non-ionic surfactant

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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