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1H-Imidazole,4,5-dihydro-2-pentadecyl-
CAS:
10443-62-6
MW:
280.5
MF:
C18H36N2
 
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Names and ldentifier
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
1H-Imidazole,4,5-dihydro-2-pentadecyl-
1.2 Synonyms
1h-imidazole, 4,5-dihydro-2-pentadecyl-; 2-Imidazoline,2-pentadecyl- (7CI,8CI); 2-pentadecyl-4,5-dihydro-1h-imidazole; 2-Pentadecylimidazoline; 4,5-dihydro-2-pentadecyl-1h-imidazole; 7QL9QX6HJK; AC1L5DJB; AC1Q4UF6; AKOS028111148; CTK4A3045; DTXSID60908972; NSC 13535; nsc13535; Q27894379; UNII-7QL9QX6HJK; ZINC100306268;
View all
1.3 CAS No.
10443-62-6
1.4 CID
224765
1.5 Molecular Formula
C18H36N2
1.6 Inchi
InChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19-16-17-20-18/h2-17H2,1H3,(H,19,20)
1.7 InChkey
KSJKFYTZUCKVFT-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCCCCCCCCCCC1=NCCN1
1.9 Isomers Smiles
CCCCCCCCCCCCCCCC1=NCCN1
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. NMR Spectrum
13C NMR : Predict
1H NMR : Predict
4. Synthesis Route
10443-62-6
Total: 6 Synthesis Route
107-15-3
10443-62-6
107-15-3
57-10-3
239 Suppliers
10443-62-6
View all
5. Precursor and Product
precursor:
120-93-4
88122-40-1
57-10-3
6780-13-8
5518-18-3
333-18-6
product:
88122-40-1
629-80-1
38668-47-2
6. Computed Properties
Molecular Weight:
280.5g/mol
Molecular Formula:
C
18
H
36
N
2
Compound Is Canonicalized:
True
Exact Mass:
6.6
XLogP3-AA:
280.287849157
Monoisotopic Mass:
280.287849157
Complexity:
236
Rotatable Bond Count:
14
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
24.4
Heavy Atom Count::
20
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcfB7AAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACADBAAQDAALAAAAgAAIgJAAAAAEAAAABAIA4AAAAQAIAiAAUAAAAEACAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Realated Product Infomation
4,5-dihydro-2-pentadecyl-1H-imidazole-1-ethylamine
cas:20513-80-8
4,5-dihydro-2-pentadecyl-1H-imidazole-1-ethylamine monoacetate
cas:85068-44-6
N-[2-(4,5-dihydro-2-pentadecyl-1H-imidazol-1-yl)ethyl]hexadecan-1-amide
cas:70055-53-7
pentadecyl methacrylate
cas:6140-74-5
N-PENTADECYL MERCAPTAN
cas:25276-70-4
PENTADECYL SODIUM SULFATE
cas:13393-71-0
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
NMR Spectrum
4.
Synthesis Route
5.
Precursor and Product
6.
Computational chemical data
7.
Realated Product Infomation
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