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Molecule
ID:131036
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₉H₃₈
Molecular Mass
266.50502
Exact Mass
266.29735122
Charge
0
InChI
InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3
InChIKey
NHLUYCJZUXOUBX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC=C
Isomeric Smiles
CCCCCCCCCCCCCCCCCC=C
Calculated Properties
JChem
LogD (pH = 7.4)
8.61
LogD (pH = 5.5)
8.61
Log P
8.61
Rotatable Bonds
16
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
38.79
Molar Refractivity
89.27
LOG S
-9.49
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
•
Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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ChEBI
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
N2008
284831
74230
Academic Data
PubChem
29075
ChEBI
CHEBI:64503
Names and Identifiers
Synonyms
1-十九烯
1-Nonadecene
1-nonadecene
nonadec-1-ene
IUPAC Traditional name
1-nonadecene
IUPAC name
nonadec-1-ene
Registration numbers
EC Number
242-313-7
Beilstein Number
1705613
MDL Number
MFCD00009010
CAS Number
18435-45-5
PubChem SID
24886661
24897543
162225314
136349083
PubChem CID
29075
Reaxys Registry
1705613
MetaCyc Database
CPD-14220
GeneOntology Database
GO:1900876
GO:1900877
CHEBI ID
CHEBI:64503
LIPID MAPS Instance
LMFA11000322
SureChEMBL Database
SCHEMBL35078
CompTox Database
DTXSID0066377
Patent number
WO2011005548
ACToR Database
18435-45-5
27400-77-7
MetaboLights Database
MTBLS2406
Agricola Citation
IND20413136
PubMed Citation Links
17489359
21216900
22805798
Properties
Safety Information
German water hazard class
3
Source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Source
Eyeshields, Gloves
Source
Storage Temperature
2-8°C
Source
MSDS Link
Download link
Source
Download link
Source
Physical Property
Refractive Index
n20/D 1.445(lit.)
Source
Density
0.79 g/mL at 25 °C(lit.)
Source
Flash Point
110 °C
Source
230 °F
Source
Melting Point
23 °C(lit.)
Source
Transition Temperature
solidification point 21-24 °C
Source
Product Information
Linear Formula
CH3(CH2)16CH=CH2
Source
Purity
97%
Source
≥99.0% (GC)
Source
Shelf Life
(limited shelf life, expiry date on the label)
Source
Grade
analytical standard
Source
Molecule Details
ChEBI
CHEBI:64503
An unbranched nineteen-carbon alkene with one double bond between C-1 and C-2.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
Beilstein Number
•
MDL Number
•
CAS Number
•
PubChem SID
•
PubChem CID
•
Reaxys Registry
•
MetaCyc Database
•
GeneOntology Database
•
CHEBI ID
•
LIPID MAPS Instance
•
SureChEMBL Database
•
CompTox Database
•
Patent number
•
ACToR Database
•
MetaboLights Database
•
Agricola Citation
•
PubMed Citation Links