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Molecule
ID:79393
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₉H₂₄
Molecular Mass
252.39386
Exact Mass
252.18780077
Charge
0
InChI
InChI=1S/C19H24/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h6,8-9,11-16H,2-5,7,10H2,1H3
InChIKey
KZIZPXDIBXXKAJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccc(cc1)c1ccccc1
Isomeric Smiles
CCCCCCCc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.8013043
LogD (pH = 7.4)
6.8013043
Log P
6.8013043
Molar Refractivity
83.8414
Polarizability
34.3495
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
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Molecular Spectra
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Molecule Details
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General Information
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Related Proteins
Molecular Spectra
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From Data Sources
Bioactivity
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Data Source
Commercial Catalog
Apollo Scientific
OR21854
Alfa Aesar
A13952
Academic Data
PubChem
108798
Names and Identifiers
IUPAC Traditional name
1-heptyl-4-phenylbenzene
IUPAC name
1-heptyl-4-phenylbenzene
Synonyms
4-heptyl-1,1'-biphenyl
4-n-Heptylbiphenyl
4-正庚基联苯
Registration numbers
PubChem SID
162044156
PubChem CID
108798
MDL Number
MFCD00051790
Beilstein Number
2087250
CAS Number
59662-32-7
EC Number
000-000-0
Properties
Product Information
Purity
98%
Source
Physical Property
Melting Point
26-28°C
Source
Refractive Index
1.5538
Source
Boiling Point
175-176°C/2mm
Source
Safety Information
TSCA Listed
是
Source
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Bioactivity
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MDL Number
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