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17373-28-3 molecular structure
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dimethyl(undecyl)amine

ChemBase ID: 146880
Molecular Formular: C13H29N
Molecular Mass: 199.37606
Monoisotopic Mass: 199.22999993
SMILES and InChIs

SMILES:
CCCCCCCCCCCN(C)C
Canonical SMILES:
CCCCCCCCCCCN(C)C
InChI:
InChI=1S/C13H29N/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4-13H2,1-3H3
InChIKey:
MMWFTWUMBYZIRZ-UHFFFAOYSA-N

Cite this record

CBID:146880 http://www.chembase.cn/molecule-146880.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(undecyl)amine
IUPAC Traditional name
dimethyl(undecyl)amine
Synonyms
1-(Dimethylamino)undecane
N,N-Dimethylundecylamine
1-(二甲氨基)十一烷
N,N-二甲基十一烷基胺
CAS Number
17373-28-3
MDL Number
MFCD00077748
Beilstein Number
2345290
PubChem SID
162241072
PubChem CID
121292

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
389277 external link Add to cart Please log in.
Data Source Data ID
PubChem 121292 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1900597  LogD (pH = 7.4) 2.2663715 
Log P 4.626049  Molar Refractivity 66.0687 cm3
Polarizability 26.27136 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
50 °C/0.1 mmHg(lit.) expand Show data source
Flash Point
104 °C expand Show data source
219.2 °F expand Show data source
Density
0.783 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) 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
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3(CH2)10N(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 389277 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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