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15816-71-4 | Octanoic acid, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 15816-71-4 Catalog No: AG001Q13 MDL No:
Product Description
Catalog Number:
AG001Q13
Chemical Name:
Octanoic acid, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
15816-71-4
Molecular Formula:
C20H39NO2
Molecular Weight:
325.5292
IUPAC Name:
N-cyclohexylcyclohexanamine;octanoic acid
InChI:
InChI=1S/C12H23N.C8H16O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8(9)10/h11-13H,1-10H2;2-7H2,1H3,(H,9,10)
InChI Key:
HFNYKMJSBDPKSF-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CCCCCCCC(=O)O
EC Number:
239-914-1
UNII:
2OCU38X3W3
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.298g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.537g/mol
Monoisotopic Mass:
325.298g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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