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819883-49-3 | Benzoic acid, 3,5-bis[[(6-amino-1-oxohexyl)amino]methyl]-
CAS No: 819883-49-3 Catalog No: AG0054CO MDL No:
Product Description
Catalog Number:
AG0054CO
Chemical Name:
Benzoic acid, 3,5-bis[[(6-amino-1-oxohexyl)amino]methyl]-
CAS Number:
819883-49-3
Molecular Formula:
C21H34N4O4
Molecular Weight:
406.5191
IUPAC Name:
3,5-bis[(6-aminohexanoylamino)methyl]benzoic acid
InChI:
InChI=1S/C21H34N4O4/c22-9-5-1-3-7-19(26)24-14-16-11-17(13-18(12-16)21(28)29)15-25-20(27)8-4-2-6-10-23/h11-13H,1-10,14-15,22-23H2,(H,24,26)(H,25,27)(H,28,29)
InChI Key:
OYNUYZMQRWSGOY-UHFFFAOYSA-N
SMILES:
NCCCCCC(=O)NCc1cc(CNC(=O)CCCCCN)cc(c1)C(=O)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.258g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
406.527g/mol
Monoisotopic Mass:
406.258g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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