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112-18-5 molecular structure
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dodecyldimethylamine

ChemBase ID: 109013
Molecular Formular: C14H31N
Molecular Mass: 213.40264
Monoisotopic Mass: 213.24565
SMILES and InChIs

SMILES:
CCCCCCCCCCCCN(C)C
Canonical SMILES:
CCCCCCCCCCCCN(C)C
InChI:
InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
InChIKey:
YWFWDNVOPHGWMX-UHFFFAOYSA-N

Cite this record

CBID:109013 http://www.chembase.cn/molecule-109013.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecyldimethylamine
IUPAC Traditional name
N,N-dimethyldodecylamine
Synonyms
N,N-DIMETHYLDODECYLAMINE
N,N-dimethyldodecan-1-amine
DDA
1-(Dimethylamino)dodecane
N,N-Dimethyldodecylamine
十二烷基二甲基叔胺
N,N-二甲基十二烷基胺
N,N-二甲基十二胺
CAS Number
112-18-5
EC Number
203-943-8
MDL Number
MFCD00008970
Beilstein Number
1700191
PubChem SID
162095040
24857151
PubChem CID
8168

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6346284  LogD (pH = 7.4) 2.7109401 
Log P 5.0706177  Molar Refractivity 70.6697 cm3
Polarizability 28.1184 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds 11  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-20 °C(lit.) expand Show data source
-20°C expand Show data source
-20°C expand Show data source
Boiling Point
110-112°C/3mm expand Show data source
271°C expand Show data source
80-82 °C/0.1 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
118°C(244°F) expand Show data source
235.4 °F expand Show data source
Density
0.787 expand Show data source
0.787 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4375 expand Show data source
n20/D 1.437 expand Show data source
n20/D 1.4375(lit.) expand Show data source
Vapor Pressure
<129 mmHg ( 21 °C) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
RTECS
JR6600000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
UN Number
2735 expand Show data source
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
22-34-50 expand Show data source
22-34-50/53 expand Show data source
R:34 expand Show data source
Safety Statements
20-23-26-36/37/39-45-57 expand Show data source
26-36/37/39-45-60-61 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H314-H318-H400 expand Show data source
H302-H314-H410 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P273-P280-P305 + P351 + P338-P310-P501 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 2 expand Show data source
Purity
≥90% (GC) expand Show data source
≥97.0% (GC) expand Show data source
≥99.5% (sum of isomers, GC) expand Show data source
≥99.5% 1-dimethylaminododecane basis (GC) expand Show data source
90+% expand Show data source
97% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.5% water expand Show data source
≤1% water expand Show data source
Linear Formula
CH3(CH2)11N(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209532 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 284386 external link
Packaging
1 L in glass bottle
5, 250 mL in glass bottle
Sigma Aldrich - 39150 external link
Caution
may contain some precipitate

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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