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79111-59-4 | ALPHA,ALPHA'-[(ISOTRIDECYLIMINO)BIS(METHYLENE)]BIS(1H-IMIDAZOLE-1-ETHANOL)
CAS No: 79111-59-4 Catalog No: AG005MX8 MDL No:
Product Description
Catalog Number:
AG005MX8
Chemical Name:
ALPHA,ALPHA'-[(ISOTRIDECYLIMINO)BIS(METHYLENE)]BIS(1H-IMIDAZOLE-1-ETHANOL)
CAS Number:
79111-59-4
Molecular Formula:
C25H45N5O2
Molecular Weight:
447.6571
IUPAC Name:
1-[(2-hydroxy-3-imidazol-1-ylpropyl)-(11-methyldodecyl)amino]-3-imidazol-1-ylpropan-2-ol
InChI:
InChI=1S/C25H45N5O2/c1-23(2)11-9-7-5-3-4-6-8-10-14-28(17-24(31)19-29-15-12-26-21-29)18-25(32)20-30-16-13-27-22-30/h12-13,15-16,21-25,31-32H,3-11,14,17-20H2,1-2H3
InChI Key:
YWOOPFAIXCXKFW-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCN(CC(Cn1ccnc1)O)CC(Cn1ccnc1)O)C
EC Number:
279-065-4
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.357g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.668g/mol
Monoisotopic Mass:
447.357g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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