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16207-83-3 | Octadecanoic acid, compd. with N,N-diethylethanamine (1:1)
CAS No: 16207-83-3 Catalog No: AG001SPQ MDL No:
Product Description
Catalog Number:
AG001SPQ
Chemical Name:
Octadecanoic acid, compd. with N,N-diethylethanamine (1:1)
CAS Number:
16207-83-3
Molecular Formula:
C24H51NO2
Molecular Weight:
385.6672
IUPAC Name:
N,N-diethylethanamine;octadecanoic acid
InChI:
InChI=1S/C18H36O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7(5-2)6-3/h2-17H2,1H3,(H,19,20);4-6H2,1-3H3
InChI Key:
ZDTMSMWYJXKBEB-UHFFFAOYSA-N
SMILES:
CCN(CC)CC.CCCCCCCCCCCCCCCCCC(=O)O
EC Number:
240-336-7
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.392g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.677g/mol
Monoisotopic Mass:
385.392g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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