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85513-31-1 | Benzamide, N,N'-1,6-hexanediylbis[2-amino-3-hydroxy-4-methyl-
CAS No: 85513-31-1 Catalog No: AG004MR5 MDL No:
Product Description
Catalog Number:
AG004MR5
Chemical Name:
Benzamide, N,N'-1,6-hexanediylbis[2-amino-3-hydroxy-4-methyl-
CAS Number:
85513-31-1
Molecular Formula:
C22H30N4O4
Molecular Weight:
414.4980
IUPAC Name:
2-amino-N-[6-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]hexyl]-3-hydroxy-4-methylbenzamide
InChI:
InChI=1S/C22H30N4O4/c1-13-7-9-15(17(23)19(13)27)21(29)25-11-5-3-4-6-12-26-22(30)16-10-8-14(2)20(28)18(16)24/h7-10,27-28H,3-6,11-12,23-24H2,1-2H3,(H,25,29)(H,26,30)
InChI Key:
MIGYQBCHCYTQNK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1N)O)C)NCCCCCCNC(=O)c1ccc(c(c1N)O)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.227g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
414.506g/mol
Monoisotopic Mass:
414.227g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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