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624-17-9 molecular structure
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1,9-diethyl nonanedioate

ChemBase ID: 108637
Molecular Formular: C13H24O4
Molecular Mass: 244.32726
Monoisotopic Mass: 244.16745925
SMILES and InChIs

SMILES:
CCOC(=O)CCCCCCCC(=O)OCC
Canonical SMILES:
CCOC(=O)CCCCCCCC(=O)OCC
InChI:
InChI=1S/C13H24O4/c1-3-16-12(14)10-8-6-5-7-9-11-13(15)17-4-2/h3-11H2,1-2H3
InChIKey:
CQMYCPZZIPXILQ-UHFFFAOYSA-N

Cite this record

CBID:108637 http://www.chembase.cn/molecule-108637.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,9-diethyl nonanedioate
IUPAC Traditional name
diethyl azelate
Synonyms
Diethyl azelate
DIETHYL AZELATE
壬二酸二乙酯
CAS Number
624-17-9
EC Number
210-833-3
MDL Number
MFCD00009218
PubChem SID
24847617
162094172
PubChem CID
12204

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12204 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8297644  LogD (pH = 7.4) 2.8297644 
Log P 2.8297644  Molar Refractivity 65.5774 cm3
Polarizability 26.221226 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-16--15.8 °C(lit.) expand Show data source
Boiling Point
172 °C/18 mmHg(lit.) expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
0.973 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
90% expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C2H5O2C(CH2)7CO2C2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208152 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 124583 external link
Packaging
100 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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