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116339-08-3 | 1-Propanol, 3-(decyloctadecylamino)-
CAS No: 116339-08-3 Catalog No: AG000C94 MDL No:
Product Description
Catalog Number:
AG000C94
Chemical Name:
1-Propanol, 3-(decyloctadecylamino)-
CAS Number:
116339-08-3
Molecular Formula:
C31H65NO
Molecular Weight:
467.8539
IUPAC Name:
3-[decyl(octadecyl)amino]propan-1-ol
InChI:
InChI=1S/C31H65NO/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-29-32(30-27-31-33)28-25-23-21-12-10-8-6-4-2/h33H,3-31H2,1-2H3
InChI Key:
HYHBUBIEBDNAAK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCC)CCCO
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.507g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.867g/mol
Monoisotopic Mass:
467.507g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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