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112-75-4 molecular structure
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dimethyl(tetradecyl)amine

ChemBase ID: 152705
Molecular Formular: C16H35N
Molecular Mass: 241.4558
Monoisotopic Mass: 241.27695013
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCN(C)C
Canonical SMILES:
CCCCCCCCCCCCCCN(C)C
InChI:
InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3
InChIKey:
SFBHPFQSSDCYSL-UHFFFAOYSA-N

Cite this record

CBID:152705 http://www.chembase.cn/molecule-152705.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(tetradecyl)amine
IUPAC Traditional name
dimethyl(tetradecyl)amine
Synonyms
1-(Dimethylamino)tetradecane
N,N-Dimethylmyristylamine
N,N-Dimethyltetradecylamine
N,N-二甲基十四胺
二甲基十四烷基胺
十四烷基二甲基叔胺
CAS Number
112-75-4
EC Number
204-002-4
MDL Number
MFCD00053736
Beilstein Number
1748246
PubChem SID
24865912
162246848
PubChem CID
8211

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
41653 external link Add to cart Please log in.
Data Source Data ID
PubChem 8211 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5237658  LogD (pH = 7.4) 3.6000774 
Log P 5.959755  Molar Refractivity 79.8717 cm3
Polarizability 31.812483 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
151 °C expand Show data source
303.8 °F expand Show data source
Density
0.795 g/mL at 20 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 3 expand Show data source
Purity
≥95% (GC/NT) expand Show data source
Grade
technical expand Show data source
Linear Formula
CH3(CH2)13N(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 41653 external link
Packaging
100 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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