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Pyrimidine, 1,4,5,6-tetrahydro-2-pentadecyl-
CAS:
88122-40-1
MW:
294.5
MF:
C19H38N2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
Pyrimidine, 1,4,5,6-tetrahydro-2-pentadecyl-
1.2 Synonyms
2-PENTADECYL-1,4,5,6-TETRAHYDROPYRIMIDINE; CTK3B7595; DTXSID20524632;
1.3 CAS No.
88122-40-1
1.4 CID
13172831
1.5 Molecular Formula
C19H38N2
1.6 Inchi
InChI=1S/C19H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20-17-15-18-21-19/h2-18H2,1H3,(H,20,21)
1.7 InChkey
QIKFZKILXYYTME-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCCCCCCCCCCC1=NCCCN1
1.9 Isomers Smiles
CCCCCCCCCCCCCCCC1=NCCCN1
2. Synthesis Route
88122-40-1
Total: 2 Synthesis Route
5518-18-3
2 Suppliers
109-76-2
117 Suppliers
88122-40-1
10443-62-6
109-76-2
117 Suppliers
88122-40-1
3. Precursor and Product
precursor:
10443-62-6
5518-18-3
109-76-2
product:
10443-62-6
4. Computed Properties
Molecular Weight:
294.5g/mol
Molecular Formula:
C
19
H
38
N
2
Compound Is Canonicalized:
True
Exact Mass:
6.9
XLogP3-AA:
294.303499221
Monoisotopic Mass:
294.303499221
Complexity:
248
Rotatable Bond Count:
14
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
24.4
Heavy Atom Count::
21
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:
AAADcfB7AAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHAAQAAAACADBAAQDAALAAAAgAAIgJAAAAAEAAAABAIA4AAAAAAIAyAAEAAAAEACAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
pentadecyl methacrylate
cas:6140-74-5
N-PENTADECYL MERCAPTAN
cas:25276-70-4
PENTADECYL SODIUM SULFATE
cas:13393-71-0
ammonium pentadecyl sulphate
cas:81628-41-3
dipotassium pentadecyl phosphate
cas:99948-84-2
N-PENTADECYL-D31 ALCOHOL
cas:349553-87-3
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.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Realated Product Infomation
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