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144576-60-3 | 1,4,7,10-Tetraazacyclododecane, hydrate (1:3)
CAS No: 144576-60-3 Catalog No: AG001JR6 MDL No:
Product Description
Catalog Number:
AG001JR6
Chemical Name:
1,4,7,10-Tetraazacyclododecane, hydrate (1:3)
CAS Number:
144576-60-3
Molecular Formula:
C8H26N4O3
Molecular Weight:
226.3170
IUPAC Name:
1,4,7,10-tetrazacyclododecane;trihydrate
InChI:
InChI=1S/C8H20N4.3H2O/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;/h9-12H,1-8H2;3*1H2
InChI Key:
LZHZXGCLZNBYQR-UHFFFAOYSA-N
SMILES:
N1CCNCCNCCNCC1.O.O.O
Properties
Complexity:
65.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.2g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
226.321g/mol
Monoisotopic Mass:
226.2g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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