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845781-71-7 | Benzoic acid, 3,5-diamino-, trans-4-[(1-oxododecyl)oxy]cyclohexyl ester
CAS No: 845781-71-7 Catalog No: AG004R0A MDL No:
Product Description
Catalog Number:
AG004R0A
Chemical Name:
Benzoic acid, 3,5-diamino-, trans-4-[(1-oxododecyl)oxy]cyclohexyl ester
CAS Number:
845781-71-7
Molecular Formula:
C25H40N2O4
Molecular Weight:
432.5961
IUPAC Name:
(4-dodecanoyloxycyclohexyl) 3,5-diaminobenzoate
InChI:
InChI=1S/C25H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-24(28)30-22-12-14-23(15-13-22)31-25(29)19-16-20(26)18-21(27)17-19/h16-18,22-23H,2-15,26-27H2,1H3
InChI Key:
CXSLZOHIFVYGJN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)O[C@@H]1CC[C@H](CC1)OC(=O)c1cc(N)cc(c1)N
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.299g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.605g/mol
Monoisotopic Mass:
432.299g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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