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10042-66-7

10042-66-7 | Octadecanoic acid, compd. with 1,1'-iminobis[2-propanol] (1:1)

CAS No: 10042-66-7 Catalog No: AG0001YG MDL No:

Product Description

Catalog Number:
AG0001YG
Chemical Name:
Octadecanoic acid, compd. with 1,1'-iminobis[2-propanol] (1:1)
CAS Number:
10042-66-7
Molecular Formula:
C24H51NO4
Molecular Weight:
417.6660
IUPAC Name:
1-(2-hydroxypropylamino)propan-2-ol;octadecanoic acid
InChI:
InChI=1S/C18H36O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5(8)3-7-4-6(2)9/h2-17H2,1H3,(H,19,20);5-9H,3-4H2,1-2H3
InChI Key:
WGQPIPNTXUNINT-UHFFFAOYSA-N
SMILES:
CC(CNCC(O)C)O.CCCCCCCCCCCCCCCCCC(=O)O
EC Number:
233-128-2

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.382g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
417.675g/mol
Monoisotopic Mass:
417.382g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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