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Home > Imidazoles > 85899-63-4
85899-63-4 | 1H-Imidazole, 1-dodecyl-5-phenyl-
CAS No: 85899-63-4 Catalog No: AG008G6U MDL No:
Product Description
Catalog Number:
AG008G6U
Chemical Name:
1H-Imidazole, 1-dodecyl-5-phenyl-
CAS Number:
85899-63-4
Molecular Formula:
C21H32N2
Molecular Weight:
312.4922
IUPAC Name:
1-dodecyl-5-phenylimidazole
InChI:
InChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-14-17-23-19-22-18-21(23)20-15-12-11-13-16-20/h11-13,15-16,18-19H,2-10,14,17H2,1H3
InChI Key:
RFBPKQUXMFBJMU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCn1cncc1c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.257g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.501g/mol
Monoisotopic Mass:
312.257g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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