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3332-27-2 molecular structure
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N,N-dimethyltetradecanamine oxide

ChemBase ID: 128485
Molecular Formular: C16H35NO
Molecular Mass: 257.4552
Monoisotopic Mass: 257.27186475
SMILES and InChIs

SMILES:
[O-][N+](C)(C)CCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCC[N+](C)(C)[O-]
InChI:
InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h4-16H2,1-3H3
InChIKey:
ONHFWHCMZAJCFB-UHFFFAOYSA-N

Cite this record

CBID:128485 http://www.chembase.cn/molecule-128485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyltetradecanamine oxide
IUPAC Traditional name
myristamine oxide
Synonyms
N,N-Dimethyl-1-tetradecanamine-N-oxide;Myristyl dimethyl amine oxide
Myristyldimethylamine oxide
N,N-Dimethyltetradecylamine N-oxide
Dimethyl-oxido-tetradecyl-azanium
Myristamine oxide
Myristyldimethylamine N-oxide
TDAO
N,N-Dimethyltetradecylamine N-oxide
CAS Number
3332-27-2
EC Number
222-059-3
MDL Number
MFCD00045674
Beilstein Number
4245192
PubChem SID
162222792
PubChem CID
18739
Wikipedia Title
Myristamine_oxide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.831926  LogD (pH = 7.4) 4.835335 
Log P 4.83538  Molar Refractivity 81.9166 cm3
Polarizability 31.876495 Å3 Polar Surface Area 26.88 Å2
Rotatable Bonds 13  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 % (w/v), clear, colorless expand Show data source
Apperance
Clear liquid expand Show data source
Melting Point
-10°C expand Show data source
Boiling Point
100°C expand Show data source
Flash Point
>100 °C expand Show data source
>212 °F expand Show data source
Conductivity
≤100 μS/cm at 25 °C expand Show data source
pH
5-9 (1 % (w/v) in H2O) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
38-41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Purity
≥99.0% (NT) expand Show data source
abs.
/260 nm ≤0.08 expand Show data source
/280 nm ≤0.06 expand Show data source
Linear Formula
CH3(CH2)13N(O)(CH3)2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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