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Home > Imidazoles > 93963-91-8
93963-91-8 | 1,1'-ethylenebis[4,5-dihydro-2-(heptadecenyl)-1H-imidazole]
CAS No: 93963-91-8 Catalog No: AG00H0L2 MDL No:
Product Description
Catalog Number:
AG00H0L2
Chemical Name:
1,1'-ethylenebis[4,5-dihydro-2-(heptadecenyl)-1H-imidazole]
CAS Number:
93963-91-8
Molecular Formula:
C42H78N4
Molecular Weight:
639.0955
IUPAC Name:
2-[(E)-heptadec-1-enyl]-1-[2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethyl]-4,5-dihydroimidazole
InChI:
InChI=1S/C42H78N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-43-35-37-45(41)39-40-46-38-36-44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30,35-40H2,1-2H3/b33-31+,34-32+
InChI Key:
JDPQVQWKTYBHRX-FMWAKIAMSA-N
SMILES:
CCCCCCCCCCCCCCCC=CC1=NCCN1CCN1CCN=C1C=CCCCCCCCCCCCCCCC
EC Number:
300-836-9
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
638.623g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
639.114g/mol
Monoisotopic Mass:
638.623g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.2
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