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15860-21-6 | Octadecanoic acid, compd. with cyclohexanamine (1:1)
CAS No: 15860-21-6 Catalog No: AG001QCN MDL No:
Product Description
Catalog Number:
AG001QCN
Chemical Name:
Octadecanoic acid, compd. with cyclohexanamine (1:1)
CAS Number:
15860-21-6
Molecular Formula:
C24H49NO2
Molecular Weight:
383.6514
IUPAC Name:
cyclohexanamine;octadecanoic acid
InChI:
InChI=1S/C18H36O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-6-4-2-1-3-5-6/h2-17H2,1H3,(H,19,20);6H,1-5,7H2
InChI Key:
DBKKYJPKNUNYFA-UHFFFAOYSA-N
SMILES:
NC1CCCCC1.CCCCCCCCCCCCCCCCCC(=O)O
EC Number:
239-984-3
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.376g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.661g/mol
Monoisotopic Mass:
383.376g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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