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163977-10-4 | Cyclohexanol, 2-(1,4,7,10-tetraazacyclododec-1-yl)-, (1R,2R)-rel-
CAS No: 163977-10-4 Catalog No: AG001UJW MDL No:
Product Description
Catalog Number:
AG001UJW
Chemical Name:
Cyclohexanol, 2-(1,4,7,10-tetraazacyclododec-1-yl)-, (1R,2R)-rel-
CAS Number:
163977-10-4
Molecular Formula:
C14H30N4O
Molecular Weight:
270.4142
IUPAC Name:
(1R,2R)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol
InChI:
InChI=1S/C14H30N4O/c19-14-4-2-1-3-13(14)18-11-9-16-7-5-15-6-8-17-10-12-18/h13-17,19H,1-12H2/t13-,14-/m1/s1
InChI Key:
CKOAICAMEYFWNM-ZIAGYGMSSA-N
SMILES:
O[C@@H]1CCCC[C@H]1N1CCNCCNCCNCC1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
270.242g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.421g/mol
Monoisotopic Mass:
270.242g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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