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15860-19-2 | Hexadecanoic acid, compd. with cyclohexanamine (1:1)
CAS No: 15860-19-2 Catalog No: AG001QCO MDL No:
Product Description
Catalog Number:
AG001QCO
Chemical Name:
Hexadecanoic acid, compd. with cyclohexanamine (1:1)
CAS Number:
15860-19-2
Molecular Formula:
C22H45NO2
Molecular Weight:
355.5982
IUPAC Name:
cyclohexylazanium;hexadecanoate
InChI:
InChI=1S/C16H32O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-6-4-2-1-3-5-6/h2-15H2,1H3,(H,17,18);6H,1-5,7H2
InChI Key:
PYFKOTYFBXTKMQ-UHFFFAOYSA-N
SMILES:
NC1CCCCC1.CCCCCCCCCCCCCCCC(=O)O
EC Number:
239-983-8
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.345g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.607g/mol
Monoisotopic Mass:
355.345g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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