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84878-45-5 | (13-AMINO-2,5,8,11-TETRAAZATRIDEC-1-YL)DIMETHYLPHENOL
CAS No: 84878-45-5 Catalog No: AG004W9K MDL No:
Product Description
Catalog Number:
AG004W9K
Chemical Name:
(13-AMINO-2,5,8,11-TETRAAZATRIDEC-1-YL)DIMETHYLPHENOL
CAS Number:
84878-45-5
Molecular Formula:
C17H33N5O
Molecular Weight:
323.4768
IUPAC Name:
4-[[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]methyl]-2,3-dimethylphenol
InChI:
InChI=1S/C17H33N5O/c1-14-15(2)17(23)4-3-16(14)13-22-12-11-21-10-9-20-8-7-19-6-5-18/h3-4,19-23H,5-13,18H2,1-2H3
InChI Key:
ULEQTYYXSZMTLV-UHFFFAOYSA-N
SMILES:
NCCNCCNCCNCCNCc1ccc(c(c1C)C)O
EC Number:
284-437-4
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.269g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
323.485g/mol
Monoisotopic Mass:
323.269g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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