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76201-29-1 | 1,4,7,10,13-Pentaazacyclopentadecane-2,6-dione
CAS No: 76201-29-1 Catalog No: AG00577Q MDL No:
Product Description
Catalog Number:
AG00577Q
Chemical Name:
1,4,7,10,13-Pentaazacyclopentadecane-2,6-dione
CAS Number:
76201-29-1
Molecular Formula:
C10H21N5O2
Molecular Weight:
243.3060
IUPAC Name:
1,4,7,10,13-pentazacyclopentadecane-2,6-dione
InChI:
InChI=1S/C10H21N5O2/c16-9-7-13-8-10(17)15-6-4-12-2-1-11-3-5-14-9/h11-13H,1-8H2,(H,14,16)(H,15,17)
InChI Key:
QCZBOBNGVVYIEJ-UHFFFAOYSA-N
SMILES:
O=C1CNCC(=O)NCCNCCNCCN1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
243.311g/mol
Monoisotopic Mass:
243.17g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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