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1204-99-5 | 2,5-Piperazinedione, 3,6-bis[(aminooxy)methyl]-
CAS No: 1204-99-5 Catalog No: AG00268P MDL No:
Product Description
Catalog Number:
AG00268P
Chemical Name:
2,5-Piperazinedione, 3,6-bis[(aminooxy)methyl]-
CAS Number:
1204-99-5
Molecular Formula:
C6H12N4O4
Molecular Weight:
204.1839
IUPAC Name:
3,6-bis(aminooxymethyl)piperazine-2,5-dione
InChI:
InChI=1S/C6H12N4O4/c7-13-1-3-5(11)10-4(2-14-8)6(12)9-3/h3-4H,1-2,7-8H2,(H,9,12)(H,10,11)
InChI Key:
LRBJUCSMJGKICJ-UHFFFAOYSA-N
SMILES:
NOCC1NC(=O)C(NC1=O)CON
NSC Number:
119130
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
204.186g/mol
Monoisotopic Mass:
204.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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