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10042-67-8 | Octadecanoic acid, compd. with 1,1',1''-nitrilotris[2-propanol] (1:1)
CAS No: 10042-67-8 Catalog No: AG0001YF MDL No:
Product Description
Catalog Number:
AG0001YF
Chemical Name:
Octadecanoic acid, compd. with 1,1',1''-nitrilotris[2-propanol] (1:1)
CAS Number:
10042-67-8
Molecular Formula:
C27H57NO5
Molecular Weight:
475.7452
IUPAC Name:
1-[bis(2-hydroxypropyl)amino]propan-2-ol;octadecanoic acid
InChI:
InChI=1S/C18H36O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-17H2,1H3,(H,19,20);7-9,11-13H,4-6H2,1-3H3
InChI Key:
PJXWYLSAKUNJSC-UHFFFAOYSA-N
SMILES:
CC(CN(CC(O)C)CC(O)C)O.CCCCCCCCCCCCCCCCCC(=O)O
EC Number:
233-129-8
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.424g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
475.755g/mol
Monoisotopic Mass:
475.424g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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