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31098-06-3 | Octadecanoic acid, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 31098-06-3 Catalog No: AG00323T MDL No:
Product Description
Catalog Number:
AG00323T
Chemical Name:
Octadecanoic acid, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
31098-06-3
Molecular Formula:
C30H59NO2
Molecular Weight:
465.7950
IUPAC Name:
N-cyclohexylcyclohexanamine;octadecanoic acid
InChI:
InChI=1S/C18H36O2.C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-17H2,1H3,(H,19,20);11-13H,1-10H2
InChI Key:
XTYNGPJDSYLRIN-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CCCCCCCCCCCCCCCCCC(=O)O
EC Number:
608-579-7
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.455g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
465.807g/mol
Monoisotopic Mass:
465.455g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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