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Molecule
ID:108154
Structure
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Functional Group
Text
General Information
Structure
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Molecular Formula
C₁₈H₂₄
Molecular Mass
240.38316
Exact Mass
240.18780077
Charge
0
InChI
InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
InChIKey
ODHYDPYRIQKHCI-UHFFFAOYSA-N
Canonic Smiles
C1CCc2c(C1)c1CCCCc1c1c2CCCC1
Isomeric Smiles
C1CCc2c(C1)c1c(CCCC1)c1c2CCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.3300085
LogD (pH = 7.4)
6.3300085
Log P
6.3300085
Molar Refractivity
78.5046
Polarizability
29.825523
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
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From Data Sources
Bioactivity
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Data Source
Commercial Catalog
MP Biomedicals
05206262
Sigma Aldrich
106518
Academic Data
PubChem
95278
Names and Identifiers
Synonyms
DODECAHYDROTRI-o-PHENYLENE
Dodecahydrotriphenylene
十二氢苯并菲
IUPAC Traditional name
1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
IUPAC name
1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
Registration numbers
EC Number
216-550-1
CAS Number
1610-39-5
PubChem CID
95278
PubChem SID
162094052
24846736
Beilstein Number
2051002
MDL Number
MFCD00001109
Properties
Product Information
Certificate of Analysis
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Source
Empirical Formula (Hill Notation)
C18H24
Source
Purity
99%
Source
Safety Information
MSDS Link
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Source
Download link
Source
German water hazard class
3
Source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
Physical Property
Melting Point
231-233 °C(lit.)
Source
Molecule Details
MP Biomedicals
05206262
MP Biomedicals Rare Chemical collection
Sigma Aldrich
106518
Packaging
10 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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EC Number
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CAS Number
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PubChem CID
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PubChem SID
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Beilstein Number
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MDL Number