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17785-17-0 | Octadecanamide, N,N'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl]bis- (9CI)
CAS No: 17785-17-0 Catalog No: AG0025L2 MDL No:
Product Description
Catalog Number:
AG0025L2
Chemical Name:
Octadecanamide, N,N'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl]bis- (9CI)
CAS Number:
17785-17-0
Molecular Formula:
C42H85N3O3
Molecular Weight:
680.1426
IUPAC Name:
N-[2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
InChI:
InChI=1S/C42H85N3O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)43-35-37-45(39-40-46)38-36-44-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h46H,3-40H2,1-2H3,(H,43,47)(H,44,48)
InChI Key:
QZYVEGRSZIBKKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCO
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
679.659g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
680.16g/mol
Monoisotopic Mass:
679.659g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15
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