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1610-39-5 molecular structure
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1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene

ChemBase ID: 108154
Molecular Formular: C18H24
Molecular Mass: 240.38316
Monoisotopic Mass: 240.18780077
SMILES and InChIs

SMILES:
C1CCc2c(C1)c1c(CCCC1)c1c2CCCC1
Canonical SMILES:
C1CCc2c(C1)c1CCCCc1c1c2CCCC1
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

Cite this record

CBID:108154 http://www.chembase.cn/molecule-108154.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
IUPAC Traditional name
1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
Synonyms
Dodecahydrotriphenylene
DODECAHYDROTRI-o-PHENYLENE
十二氢苯并菲
CAS Number
1610-39-5
EC Number
216-550-1
MDL Number
MFCD00001109
Beilstein Number
2051002
PubChem SID
162094052
24846736
PubChem CID
95278

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 95278 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.3300085  LogD (pH = 7.4) 6.3300085 
Log P 6.3300085  Molar Refractivity 78.5046 cm3
Polarizability 29.825523 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
231-233 °C(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, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C18H24 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206262 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 106518 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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