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Molecule
ID:104830
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₆H₅₄
Molecular Mass
366.70696
Exact Mass
366.42255173
Charge
0
InChI
InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey
HMSWAIKSFDFLKN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
12.02
LogD (pH = 5.5)
12.02
Log P
12.02
Rotatable Bonds
23
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
54.84
Molar Refractivity
121.43
LOG S
-13.27
Data Source
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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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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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Synonyms
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IUPAC name
Registration numbers
Properties
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Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
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ChEBI
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
02157344
05224879
Sigma Aldrich
241687
52183
52185
442678
Alfa Aesar
42461
Academic Data
PubChem
12407
ChEBI
CHEBI:32940
Names and Identifiers
IUPAC Traditional name
hexacosane
Synonyms
n-HEXACOSANE
HEXACOSANE
正二十六烷
Hexacosane
n-Hexacosane
n-hexacosane
hexacosane
CH3-[CH2]24-CH3
IUPAC name
hexacosane
Registration numbers
CAS Number
630-01-3
EC Number
211-124-1
PubChem SID
24874230
24854320
162091989
24867955
24874231
8147335
Beilstein Number
1705609
MDL Number
MFCD00009354
PubChem CID
12407
PubMed Citation Links
25125193
23157011
BRENDA Ligand Database
215020
LIPID MAPS Instance
LMFA11000576
Golm Database
f7080817-27bc-41b4-a28b-909ecdbad4d8
SureChEMBL Database
SCHEMBL198427
MetaCyc Database
CPD-9763
ACToR Database
630-01-3
CompTox Database
DTXSID7060883
CHEBI ID
CHEBI:32940
BRENDA Database
1.14.14.28
Reaxys Registry
1705609
KNApSAcK Database
C00030478
BKMS React Database
215020
Molecule Details
MP Biomedicals
02157344
Purity: 99%
Crystalline
05224879
MP Biomedicals Rare Chemical collection
Sigma Aldrich
241687
Packaging
1, 5 g in glass bottle
250 mg in glass bottle
ChEBI
CHEBI:32940
A straight-chain alkane comprising of 26 carbon atoms.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
EC Number
•
PubChem SID
•
Beilstein Number
•
MDL Number
•
PubChem CID
•
PubMed Citation Links
•
BRENDA Ligand Database
•
LIPID MAPS Instance
•
Golm Database
•
SureChEMBL Database
•
MetaCyc Database
•
ACToR Database
•
CompTox Database
•
CHEBI ID
•
BRENDA Database
•
Reaxys Registry
•
KNApSAcK Database
•
BKMS React Database
Properties
Product Information
Certificate of Analysis
Download link
Source
Download link
Source
Purity
99%
Source
≥99.0% (GC)
Source
≥98.0% (GC)
Source
Linear Formula
CH3(CH2)24CH3
Source
Grade
puriss.
Source
analytical standard
Source
Shelf Life
(limited shelf life, expiry date on the label)
Source
Packaging
ampule of 1000 mg
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
211-124-1
Source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
3
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Irritant (Xi)
P280
-
P264
-
P302+P352
-
P321
-
P362
-
P332+P313
Source
38
Source
H315
Source
是
Source
Physical Property
Melting Point
55-58 °C(lit.)
Source
56-58 °C
Source
55-58 °C
Source
56-58°C
Source
Solubility
chloroform: soluble0.1 g/mL, clear
Source
Apperance
Crystalline
Source
Source
Source
RTECS
Personal Protective Equipment
German water hazard class
GHS Pictograms
European Hazard Symbols
GHS Precautionary statements
Risk Statements
GHS Hazard statements
TSCA Listed