Home Other Building Blocks 1,4,7,10-TETRAAZACYCLOTRIDECANE

1,4,7,10-TETRAAZACYCLOTRIDECANE

CAS No.:
295-14-7
Catalog Number:
AG002YKP
Molecular Formula:
C9H22N4
Molecular Weight:
186.2978
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Product Description
Catalog Number:
AG002YKP
Chemical Name:
1,4,7,10-TETRAAZACYCLOTRIDECANE
CAS Number:
295-14-7
Molecular Formula:
C9H22N4
Molecular Weight:
186.2978
MDL Number:
MFCD06410986
IUPAC Name:
1,4,7,10-tetrazacyclotridecane
InChI:
InChI=1S/C9H22N4/c1-2-10-4-6-12-8-9-13-7-5-11-3-1/h10-13H,1-9H2
InChI Key:
LADZJJOUGVGJHM-UHFFFAOYSA-N
SMILES:
C1NCCNCCNCCNCC1
Properties
Complexity:
95.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.184g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
186.303g/mol
Monoisotopic Mass:
186.184g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Isomeric trimethylene and ethylene pendant-armed cross-bridged tetraazamacrocycles and in vitro/in vivo comparisions of their copper(II) complexes. Inorganic chemistry 20110404
Properties