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3007-53-2 molecular structure
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N,N-dimethyldodecanamide

ChemBase ID: 131456
Molecular Formular: C14H29NO
Molecular Mass: 227.38616
Monoisotopic Mass: 227.22491455
SMILES and InChIs

SMILES:
CCCCCCCCCCCC(=O)N(C)C
Canonical SMILES:
CCCCCCCCCCCC(=O)N(C)C
InChI:
InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h4-13H2,1-3H3
InChIKey:
BDYUSDIJIDGWCY-UHFFFAOYSA-N

Cite this record

CBID:131456 http://www.chembase.cn/molecule-131456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyldodecanamide
IUPAC Traditional name
N,N-dimethyldodecylamine oxide
Synonyms
N,N-Dimethyldodecanamide
N,N-Dimethyllauramide
Lauric acid N,N-dimethylamide
CAS Number
3007-53-2
EC Number
221-117-5
MDL Number
MFCD00026554
PubChem SID
24896300
162225734
PubChem CID
18159

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
L2136 external link Add to cart Please log in.
Data Source Data ID
PubChem 18159 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1187167  LogD (pH = 7.4) 4.1187177 
Log P 4.1187177  Molar Refractivity 70.2952 cm3
Polarizability 27.736353 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
0.87 g/mL at 25 °C(lit.) expand Show data source
RTECS
JR2050000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
UN Number
3082 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
50/53 expand Show data source
Safety Statements
60-61 expand Show data source
GHS Pictograms
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H410 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Purity
~95% expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - L2136 external link
Application
Dermal penetration enhancer; facilitates transport of solutes through the skin.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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