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15499-91-9 | 2,4,6,8-Tetraazanonanediamide, 5-oxo-
CAS No: 15499-91-9 Catalog No: AG001NIY MDL No:
Product Description
Catalog Number:
AG001NIY
Chemical Name:
2,4,6,8-Tetraazanonanediamide, 5-oxo-
CAS Number:
15499-91-9
Molecular Formula:
C5H12N6O3
Molecular Weight:
204.1872
IUPAC Name:
1,3-bis[(carbamoylamino)methyl]urea
InChI:
InChI=1S/C5H12N6O3/c6-3(12)8-1-10-5(14)11-2-9-4(7)13/h1-2H2,(H3,6,8,12)(H3,7,9,13)(H2,10,11,14)
InChI Key:
OKNSZPQWMKXIEO-UHFFFAOYSA-N
SMILES:
O=C(NCNC(=O)N)NCNC(=O)N
EC Number:
604-987-4
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
204.19g/mol
Monoisotopic Mass:
204.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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