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85665-50-5 | 15-Hydroxy-4,7,10,13-tetraazahexadecanenitrile
CAS No: 85665-50-5 Catalog No: AG004TGU MDL No:
Product Description
Catalog Number:
AG004TGU
Chemical Name:
15-Hydroxy-4,7,10,13-tetraazahexadecanenitrile
CAS Number:
85665-50-5
Molecular Formula:
C12H27N5O
Molecular Weight:
257.3757
IUPAC Name:
3-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]propanenitrile
InChI:
InChI=1S/C12H27N5O/c1-12(18)11-17-10-9-16-8-7-15-6-5-14-4-2-3-13/h12,14-18H,2,4-11H2,1H3
InChI Key:
MSLZKPMVJKWTJZ-UHFFFAOYSA-N
SMILES:
N#CCCNCCNCCNCCNCC(O)C
EC Number:
288-139-5
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.222g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
257.382g/mol
Monoisotopic Mass:
257.222g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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